4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride

C15H21ClN4O — CID 120563814

IUPAC4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
SMILESCc1ccn(-c2ccccc2NC(=O)CCC(C)N)n1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11(16)7-8-15(20)17-13-5-3-4-6-14(13)19-10-9-12(2)18-19;/h3-6,9-11H,7-8,16H2,1-2H3,(H,17,20);1H
InChIKeyMTQOGVMPUAZKTH-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.67
Rot. Bonds5

About 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride

4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride (PubChem CID 120563814) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
PubChem CID120563814
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
SMILESCc1ccn(-c2ccccc2NC(=O)CCC(C)N)n1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11(16)7-8-15(20)17-13-5-3-4-6-14(13)19-10-9-12(2)18-19;/h3-6,9-11H,7-8,16H2,1-2H3,(H,17,20);1H
InChIKeyMTQOGVMPUAZKTH-UHFFFAOYSA-N
XLogP2.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
ethyl 1-[2-[4-(methylamino)butanoylamino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779887
4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 120560664
1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 167950435
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
CID 154778909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride (CID 120563814) is 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride is Cc1ccn(-c2ccccc2NC(=O)CCC(C)N)n1.Cl.
What is the InChIKey of 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is MTQOGVMPUAZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-11(16)7-8-15(20)17-13-5-3-4-6-14(13)19-10-9-12(2)18-19;/h3-6,9-11H,7-8,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride?
4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).