N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide

C46H49Cl3N16O4S — CID 158609723

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide (PubChem CID 158609723) has the molecular formula C46H49Cl3N16O4S and a molecular weight of 1028.43 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide
• PubChem CID: 158609723
• Molecular Formula: C46H49Cl3N16O4S
• Molecular Weight: 1028.43 g/mol
• Exact Mass: 1026.29
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide
• SMILES: CCN(C(=O)C(C)OCSC)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)Cn1ccnc1)c1cn(-c2cccnc2)nc1Cl.O=C(Cn1ccnc1)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C17H17ClN6O.C15H19ClN4O2S.C14H13ClN6O/c18-17-15(10-24(21-17)14-2-1-5-19-8-14)23(9-13-3-4-13)16(25)11-22-7-6-20-12-22;1-4-19(15(21)11(2)22-10-23-3)13-9-20(18-14(13)16)12-6-5-7-17-8-12;1-19(13(22)9-20-6-5-17-10-20)12-8-21(18-14(12)15)11-3-2-4-16-7-11/h1-2,5-8,10,12-13H,3-4,9,11H2;5-9,11H,4,10H2,1-3H3;2-8,10H,9H2,1H3
• InChIKey: HWRKDLXWWWMUBP-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 197.93 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.43
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide (CID 158609723) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide is CCN(C(=O)C(C)OCSC)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)Cn1ccnc1)c1cn(-c2cccnc2)nc1Cl.O=C(Cn1ccnc1)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide?

The InChIKey is HWRKDLXWWWMUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C15H19ClN4O2S.C14H13ClN6O/c18-17-15(10-24(21-17)14-2-1-5-19-8-14)23(9-13-3-4-13)16(25)11-22-7-6-20-12-22;1-4-19(15(21)11(2)22-10-23-3)13-9-20(18-14(13)16)12-6-5-7-17-8-12;1-19(13(22)9-20-6-5-17-10-20)12-8-21(18-14(12)15)11-3-2-4-16-7-11/h1-2,5-8,10,12-13H,3-4,9,11H2;5-9,11H,4,10H2,1-3H3;2-8,10H,9H2,1H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 1028.43 g/mol, XLogP of 7.34, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-2-imidazol-1-ylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(methylsulfanylmethoxy)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 158609723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).