N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide

C14H17ClN4O — CID 60927204

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C14H17ClN4O/c1-10(2)16-9-14(20)18-12-8-11(15)4-5-13(12)19-7-3-6-17-19/h3-8,10,16H,9H2,1-2H3,(H,18,20)
InChIKeyKEBAVLKMLIJGAT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.46
Rot. Bonds5

About N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60927204) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID60927204
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C14H17ClN4O/c1-10(2)16-9-14(20)18-12-8-11(15)4-5-13(12)19-7-3-6-17-19/h3-8,10,16H,9H2,1-2H3,(H,18,20)
InChIKeyKEBAVLKMLIJGAT-UHFFFAOYSA-N
XLogP2.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
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-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
N-(2-acetylphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide
CID 55919271
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
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
CID 55919142

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide (CID 60927204) is N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is KEBAVLKMLIJGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10(2)16-9-14(20)18-12-8-11(15)4-5-13(12)19-7-3-6-17-19/h3-8,10,16H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60927204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).