2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide

C15H19ClN4O — CID 60927429

IUPAC2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-2-3-5-12(17)15(21)19-13-10-11(16)6-7-14(13)20-9-4-8-18-20/h4,6-10,12H,2-3,5,17H2,1H3,(H,19,21)
InChIKeyBHIFLFUGFIRDBK-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.98
Rot. Bonds6

About 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide

2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide (PubChem CID 60927429) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
PubChem CID60927429
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-2-3-5-12(17)15(21)19-13-10-11(16)6-7-14(13)20-9-4-8-18-20/h4,6-10,12H,2-3,5,17H2,1H3,(H,19,21)
InChIKeyBHIFLFUGFIRDBK-UHFFFAOYSA-N
XLogP2.98
TPSA72.94 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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
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
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 119316621
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
CID 103154914
2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55807359

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide (CID 60927429) is 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide is CCCCC(N)C(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide?
The InChIKey is BHIFLFUGFIRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-3-5-12(17)15(21)19-13-10-11(16)6-7-14(13)20-9-4-8-18-20/h4,6-10,12H,2-3,5,17H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide?
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide has a molecular weight of 306.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide is sourced from PubChem (CID 60927429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).