N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide

C15H19N3O — CID 844627

IUPACN-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)12-7-5-6-8-13(12)17-14(19)11-9-16-18(4)10-11/h5-10H,1-4H3,(H,17,19)
InChIKeyCPZFGLPMZLZSRZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.97
Rot. Bonds2

About N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide

N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 844627) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID844627
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)12-7-5-6-8-13(12)17-14(19)11-9-16-18(4)10-11/h5-10H,1-4H3,(H,17,19)
InChIKeyCPZFGLPMZLZSRZ-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.97
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)pyridine-3-carboxamide
CID 1244993
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide (CID 844627) is N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CPZFGLPMZLZSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)12-7-5-6-8-13(12)17-14(19)11-9-16-18(4)10-11/h5-10H,1-4H3,(H,17,19).
What are the key properties of N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide?
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 844627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).