N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide

C21H24N4O — CID 25050634

IUPACN-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
SMILESCc1cc(C(=O)NC(CN)Cc2ccccc2)ccc1-c1ccnn1C
InChIInChI=1S/C21H24N4O/c1-15-12-17(8-9-19(15)20-10-11-23-25(20)2)21(26)24-18(14-22)13-16-6-4-3-5-7-16/h3-12,18H,13-14,22H2,1-2H3,(H,24,26)
InChIKeyFJXZEOFXBMYIRT-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.70
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide

N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide (PubChem CID 25050634) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
PubChem CID25050634
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
SMILESCc1cc(C(=O)NC(CN)Cc2ccccc2)ccc1-c1ccnn1C
InChIInChI=1S/C21H24N4O/c1-15-12-17(8-9-19(15)20-10-11-23-25(20)2)21(26)24-18(14-22)13-16-6-4-3-5-7-16/h3-12,18H,13-14,22H2,1-2H3,(H,24,26)
InChIKeyFJXZEOFXBMYIRT-UHFFFAOYSA-N
XLogP2.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
CID 25050984
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 25051158
N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
CID 25050807
N-tert-butyl-N-[2-[[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoyl]amino]-3-phenylpropyl]carbamate
CID 86642132
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide
CID 24997112
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 74382819
N-[(E)-3-amino-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 160905490
N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 24997125
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide (CID 25050634) is N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide is Cc1cc(C(=O)NC(CN)Cc2ccccc2)ccc1-c1ccnn1C.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is FJXZEOFXBMYIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-12-17(8-9-19(15)20-10-11-23-25(20)2)21(26)24-18(14-22)13-16-6-4-3-5-7-16/h3-12,18H,13-14,22H2,1-2H3,(H,24,26).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide?
N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 348.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 25050634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).