4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide

C16H23ClN6O2 — CID 4776652

IUPAC4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(C)n1ncc(Cl)c1C
InChIInChI=1S/C16H23ClN6O2/c1-5-7-18-16(25)14-13(9-22(6-2)21-14)20-15(24)11(4)23-10(3)12(17)8-19-23/h8-9,11H,5-7H2,1-4H3,(H,18,25)(H,20,24)
InChIKeyKBYIIDSCTWDJDS-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.40
Rot. Bonds7

About 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide

4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 4776652) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID4776652
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(C)n1ncc(Cl)c1C
InChIInChI=1S/C16H23ClN6O2/c1-5-7-18-16(25)14-13(9-22(6-2)21-14)20-15(24)11(4)23-10(3)12(17)8-19-23/h8-9,11H,5-7H2,1-4H3,(H,18,25)(H,20,24)
InChIKeyKBYIIDSCTWDJDS-UHFFFAOYSA-N
XLogP2.40
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415390
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415399
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide (CID 4776652) is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)C(C)n1ncc(Cl)c1C.
What is the InChIKey of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is KBYIIDSCTWDJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O2/c1-5-7-18-16(25)14-13(9-22(6-2)21-14)20-15(24)11(4)23-10(3)12(17)8-19-23/h8-9,11H,5-7H2,1-4H3,(H,18,25)(H,20,24).
What are the key properties of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 4776652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).