N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide

C15H19ClN4O — CID 60927428

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-11(2)17-8-6-15(21)19-13-10-12(16)4-5-14(13)20-9-3-7-18-20/h3-5,7,9-11,17H,6,8H2,1-2H3,(H,19,21)
InChIKeyZQVOYMIKTOIROJ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.85
Rot. Bonds6

About N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60927428) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID60927428
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-11(2)17-8-6-15(21)19-13-10-12(16)4-5-14(13)20-9-3-7-18-20/h3-5,7,9-11,17H,6,8H2,1-2H3,(H,19,21)
InChIKeyZQVOYMIKTOIROJ-UHFFFAOYSA-N
XLogP2.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
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-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 119124142
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
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide (CID 60927428) is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is ZQVOYMIKTOIROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(2)17-8-6-15(21)19-13-10-12(16)4-5-14(13)20-9-3-7-18-20/h3-5,7,9-11,17H,6,8H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 306.80 g/mol, XLogP of 2.85, 6 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)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60927428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).