(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide

C13H17N5O — CID 119871213

IUPAC(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC[C@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C13H17N5O/c1-2-12(14)13(19)17-11-7-16-18(9-11)8-10-3-5-15-6-4-10/h3-7,9,12H,2,8,14H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyZSGBWOZTFKZMJS-LBPRGKRZSA-N
MW259.31 g/mol
LogP1.00
Rot. Bonds5

About (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide

(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 119871213) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID119871213
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC[C@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C13H17N5O/c1-2-12(14)13(19)17-11-7-16-18(9-11)8-10-3-5-15-6-4-10/h3-7,9,12H,2,8,14H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyZSGBWOZTFKZMJS-LBPRGKRZSA-N
XLogP1.00
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)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

(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide (CID 119871213) is (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide is CC[C@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is ZSGBWOZTFKZMJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-12(14)13(19)17-11-7-16-18(9-11)8-10-3-5-15-6-4-10/h3-7,9,12H,2,8,14H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 119871213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).