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

C15H19ClN4O — CID 126445579

IUPAC4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1c(Cl)c(C)nn1C)c1ccc(C)cn1
InChIInChI=1S/C15H19ClN4O/c1-5-11(12-7-6-9(2)8-17-12)18-15(21)14-13(16)10(3)19-20(14)4/h6-8,11H,5H2,1-4H3,(H,18,21)/t11-/m0/s1
InChIKeyOPTLWZRABHTHAX-NSHDSACASA-N
MW306.80 g/mol
LogP2.97
Rot. Bonds4

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

4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide (PubChem CID 126445579) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
PubChem CID126445579
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1c(Cl)c(C)nn1C)c1ccc(C)cn1
InChIInChI=1S/C15H19ClN4O/c1-5-11(12-7-6-9(2)8-17-12)18-15(21)14-13(16)10(3)19-20(14)4/h6-8,11H,5H2,1-4H3,(H,18,21)/t11-/m0/s1
InChIKeyOPTLWZRABHTHAX-NSHDSACASA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

1-methyl-N-[1-(5-methyl-2-pyridinyl)propyl]imidazole-2-carboxamide
CID 118763338
N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 91791681
2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide
CID 124751193
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide
CID 118795733
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 17020877
1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97453339
2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126443243
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide (CID 126445579) is 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide is CC[C@H](NC(=O)c1c(Cl)c(C)nn1C)c1ccc(C)cn1.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide?
The InChIKey is OPTLWZRABHTHAX-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-5-11(12-7-6-9(2)8-17-12)18-15(21)14-13(16)10(3)19-20(14)4/h6-8,11H,5H2,1-4H3,(H,18,21)/t11-/m0/s1.
What are the key properties of 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 126445579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).