N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

C21H23N3O — CID 2813881

IUPACN-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-16(2)23(15-18-10-6-4-7-11-18)21(25)20-14-22-24(17(20)3)19-12-8-5-9-13-19/h4-14,16H,15H2,1-3H3
InChIKeyDTNSMRJFACGCEY-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.23
Rot. Bonds5

About N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 2813881) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID2813881
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-16(2)23(15-18-10-6-4-7-11-18)21(25)20-14-22-24(17(20)3)19-12-8-5-9-13-19/h4-14,16H,15H2,1-3H3
InChIKeyDTNSMRJFACGCEY-UHFFFAOYSA-N
XLogP4.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluxapyroxad
CID 16095400
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
1-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}piperidine
CID 1288695

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (CID 2813881) is N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DTNSMRJFACGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16(2)23(15-18-10-6-4-7-11-18)21(25)20-14-22-24(17(20)3)19-12-8-5-9-13-19/h4-14,16H,15H2,1-3H3.
What are the key properties of N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2813881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).