N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide

C17H24N4O — CID 119586560

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NC(CN)CC(C)C)cc2)c1
InChIInChI=1S/C17H24N4O/c1-12(2)8-15(9-18)20-17(22)14-4-6-16(7-5-14)21-11-13(3)10-19-21/h4-7,10-12,15H,8-9,18H2,1-3H3,(H,20,22)
InChIKeyUVNMNGHRAUZSEM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.28
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide

N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 119586560) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID119586560
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NC(CN)CC(C)C)cc2)c1
InChIInChI=1S/C17H24N4O/c1-12(2)8-15(9-18)20-17(22)14-4-6-16(7-5-14)21-11-13(3)10-19-21/h4-7,10-12,15H,8-9,18H2,1-3H3,(H,20,22)
InChIKeyUVNMNGHRAUZSEM-UHFFFAOYSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55962959
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 97324118
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide (CID 119586560) is N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)NC(CN)CC(C)C)cc2)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is UVNMNGHRAUZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)8-15(9-18)20-17(22)14-4-6-16(7-5-14)21-11-13(3)10-19-21/h4-7,10-12,15H,8-9,18H2,1-3H3,(H,20,22).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide?
N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 300.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 119586560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).