(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

C15H19ClN4O — CID 97336644

IUPAC(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C15H19ClN4O/c1-9(15-10(2)19-20-11(15)3)6-14(21)18-8-13-7-12(16)4-5-17-13/h4-5,7,9H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyHHVLHOMNHMRDCE-VIFPVBQESA-N
MW306.80 g/mol
LogP2.88
Rot. Bonds5

About (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (PubChem CID 97336644) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
PubChem CID97336644
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C15H19ClN4O/c1-9(15-10(2)19-20-11(15)3)6-14(21)18-8-13-7-12(16)4-5-17-13/h4-5,7,9H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyHHVLHOMNHMRDCE-VIFPVBQESA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
CID 97329837
1-[(4-chloro-2-pyridinyl)methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 97352959
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
CID 138996177
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoate
CID 97065650
1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea
CID 97257516
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoate
CID 97246701
N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 75501226
N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 138993474
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
N-[(2,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654750
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 97327898

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (CID 97336644) is (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccn1.
What is the InChIKey of (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is HHVLHOMNHMRDCE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9(15-10(2)19-20-11(15)3)6-14(21)18-8-13-7-12(16)4-5-17-13/h4-5,7,9H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t9-/m0/s1.
What are the key properties of (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 306.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 97336644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).