(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide

C14H17ClN4O — CID 61179959

IUPAC(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C14H17ClN4O/c1-9(2)13(16)14(20)18-11-8-10(15)4-5-12(11)19-7-3-6-17-19/h3-9,13H,16H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyGOVLLYSXVJOVRU-ZDUSSCGKSA-N
MW292.77 g/mol
LogP2.45
Rot. Bonds4

About (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide

(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide (PubChem CID 61179959) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
PubChem CID61179959
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C14H17ClN4O/c1-9(2)13(16)14(20)18-11-8-10(15)4-5-12(11)19-7-3-6-17-19/h3-9,13H,16H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyGOVLLYSXVJOVRU-ZDUSSCGKSA-N
XLogP2.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
CID 103154914
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide (CID 61179959) is (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide?
The InChIKey is GOVLLYSXVJOVRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9(2)13(16)14(20)18-11-8-10(15)4-5-12(11)19-7-3-6-17-19/h3-9,13H,16H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide?
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide has a molecular weight of 292.77 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 61179959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).