2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride

C14H18Cl2N4O — CID 119316621

IUPAC2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-2-4-12(16)14(20)18-10-5-6-13(11(15)9-10)19-8-3-7-17-19;/h3,5-9,12H,2,4,16H2,1H3,(H,18,20);1H
InChIKeySZTVWBGROROVFJ-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.01
Rot. Bonds5

About 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride

2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride (PubChem CID 119316621) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
PubChem CID119316621
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-2-4-12(16)14(20)18-10-5-6-13(11(15)9-10)19-8-3-7-17-19;/h3,5-9,12H,2,4,16H2,1H3,(H,18,20);1H
InChIKeySZTVWBGROROVFJ-UHFFFAOYSA-N
XLogP3.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
CID 119771640
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111474512
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101
2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119314524
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride (CID 119316621) is 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride?
The InChIKey is SZTVWBGROROVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.ClH/c1-2-4-12(16)14(20)18-10-5-6-13(11(15)9-10)19-8-3-7-17-19;/h3,5-9,12H,2,4,16H2,1H3,(H,18,20);1H.
What are the key properties of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride?
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride has a molecular weight of 329.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119316621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).