N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide

C16H21N3O — CID 124607313

IUPACN-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C16H21N3O/c1-4-15(9-13-7-5-12(2)6-8-13)19(3)16(20)14-10-17-18-11-14/h5-8,10-11,15H,4,9H2,1-3H3,(H,17,18)/t15-/m1/s1
InChIKeyPSBFDGWEMVWPFM-OAHLLOKOSA-N
MW271.36 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide

N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 124607313) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID124607313
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C16H21N3O/c1-4-15(9-13-7-5-12(2)6-8-13)19(3)16(20)14-10-17-18-11-14/h5-8,10-11,15H,4,9H2,1-3H3,(H,17,18)/t15-/m1/s1
InChIKeyPSBFDGWEMVWPFM-OAHLLOKOSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 122142637
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
3-[[methyl-[1-(4-methylphenyl)butan-2-yl]carbamoyl]amino]propanoic acid
CID 122017579
N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
CID 119806881
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119806895
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119806868
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide (CID 124607313) is N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide is CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is PSBFDGWEMVWPFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-15(9-13-7-5-12(2)6-8-13)19(3)16(20)14-10-17-18-11-14/h5-8,10-11,15H,4,9H2,1-3H3,(H,17,18)/t15-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide?
N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124607313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).