N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide

C17H24N4OS — CID 47038910

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccnc2SC(C)C)n1
InChIInChI=1S/C17H24N4OS/c1-12(2)23-17-15(7-5-8-19-17)16(22)18-9-6-10-21-14(4)11-13(3)20-21/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,18,22)
InChIKeyZELPVPMULDOVEF-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.22
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 47038910) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
PubChem CID47038910
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccnc2SC(C)C)n1
InChIInChI=1S/C17H24N4OS/c1-12(2)23-17-15(7-5-8-19-17)16(22)18-9-6-10-21-14(4)11-13(3)20-21/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,18,22)
InChIKeyZELPVPMULDOVEF-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119179433
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038893
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide (CID 47038910) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cccnc2SC(C)C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is ZELPVPMULDOVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)23-17-15(7-5-8-19-17)16(22)18-9-6-10-21-14(4)11-13(3)20-21/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 47038910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).