N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide

C18H17N3O — CID 35294770

IUPACN-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2Cc2ccccc2)cn1
InChIInChI=1S/C18H17N3O/c1-21-13-16(12-19-21)18(22)20-17-10-6-5-9-15(17)11-14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyIPFUKDQXMFAQAC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.26
Rot. Bonds4

About N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide

N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 35294770) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID35294770
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2Cc2ccccc2)cn1
InChIInChI=1S/C18H17N3O/c1-21-13-16(12-19-21)18(22)20-17-10-6-5-9-15(17)11-14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyIPFUKDQXMFAQAC-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 114003192
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide (CID 35294770) is N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2Cc2ccccc2)cn1.
What is the InChIKey of N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IPFUKDQXMFAQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21-13-16(12-19-21)18(22)20-17-10-6-5-9-15(17)11-14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide?
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 35294770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).