(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide

C15H19N5O2 — CID 119328467

IUPAC(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
SMILESNC(=O)CCn1ccc(NC(=O)[C@@H](N)Cc2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c16-12(10-11-4-2-1-3-5-11)15(22)18-14-7-9-20(19-14)8-6-13(17)21/h1-5,7,9,12H,6,8,10,16H2,(H2,17,21)(H,18,19,22)/t12-/m0/s1
InChIKeyTZPKYVCKTHPDID-LBPRGKRZSA-N
MW301.35 g/mol
LogP0.27
Rot. Bonds7

About (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide

(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 119328467) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
PubChem CID119328467
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
SMILESNC(=O)CCn1ccc(NC(=O)[C@@H](N)Cc2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c16-12(10-11-4-2-1-3-5-11)15(22)18-14-7-9-20(19-14)8-6-13(17)21/h1-5,7,9,12H,6,8,10,16H2,(H2,17,21)(H,18,19,22)/t12-/m0/s1
InChIKeyTZPKYVCKTHPDID-LBPRGKRZSA-N
XLogP0.27
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,2-oxazol-3-yl)-3-phenylpropanamide
CID 62903425
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CID 61252081
(2S)-2-amino-N-(1-methylimidazol-2-yl)-3-phenylpropanamide
CID 15837349
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
3-[3-(carbamothioylamino)pyrazol-1-yl]propanoic acid
CID 86610341
3-(3-phenylpyrazol-1-yl)propanamide
CID 19835817
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 104893301
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide (CID 119328467) is (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide is NC(=O)CCn1ccc(NC(=O)[C@@H](N)Cc2ccccc2)n1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is TZPKYVCKTHPDID-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-12(10-11-4-2-1-3-5-11)15(22)18-14-7-9-20(19-14)8-6-13(17)21/h1-5,7,9,12H,6,8,10,16H2,(H2,17,21)(H,18,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 301.35 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 119328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).