4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide

C14H17ClN4O — CID 125446765

IUPAC4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]c(C)c1Cl)c1ncccc1C
InChIInChI=1S/C14H17ClN4O/c1-4-10(12-8(2)6-5-7-16-12)17-14(20)13-11(15)9(3)18-19-13/h5-7,10H,4H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyMFIYYSSTNNBXRW-JTQLQIEISA-N
MW292.77 g/mol
LogP2.96
Rot. Bonds4

About 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide

4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 125446765) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide
PubChem CID125446765
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]c(C)c1Cl)c1ncccc1C
InChIInChI=1S/C14H17ClN4O/c1-4-10(12-8(2)6-5-7-16-12)17-14(20)13-11(15)9(3)18-19-13/h5-7,10H,4H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyMFIYYSSTNNBXRW-JTQLQIEISA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-methyl-N-[1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
CID 122570843
2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
CID 125447047
N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 91761816
1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
CID 118773094
3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 62305713
2-[2-methoxyethyl(methyl)amino]-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 125443954
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 91765215
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 126441957
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 121499652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide (CID 125446765) is 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide is CC[C@H](NC(=O)c1n[nH]c(C)c1Cl)c1ncccc1C.
What is the InChIKey of 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MFIYYSSTNNBXRW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-10(12-8(2)6-5-7-16-12)17-14(20)13-11(15)9(3)18-19-13/h5-7,10H,4H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1.
What are the key properties of 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide?
4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125446765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).