5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide

C14H19N5OS — CID 119065218

IUPAC5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]cnc1CSCCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H19N5OS/c1-9-13(17-8-16-9)7-21-5-4-15-14(20)12-6-11(18-19-12)10-2-3-10/h6,8,10H,2-5,7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyOVPIGZMQKXHMNP-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.98
Rot. Bonds7

About 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 119065218) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID119065218
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]cnc1CSCCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H19N5OS/c1-9-13(17-8-16-9)7-21-5-4-15-14(20)12-6-11(18-19-12)10-2-3-10/h6,8,10H,2-5,7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyOVPIGZMQKXHMNP-UHFFFAOYSA-N
XLogP1.98
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide (CID 119065218) is 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide is Cc1[nH]cnc1CSCCNC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OVPIGZMQKXHMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9-13(17-8-16-9)7-21-5-4-15-14(20)12-6-11(18-19-12)10-2-3-10/h6,8,10H,2-5,7H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119065218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).