N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C15H19N3O — CID 118467869

IUPACN-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1CN(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C15H19N3O/c1-11(2)14-7-5-4-6-12(14)10-18(3)15(19)13-8-16-17-9-13/h4-9,11H,10H2,1-3H3,(H,16,17)
InChIKeyCYOPESCNWITJCD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 118467869) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID118467869
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1CN(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C15H19N3O/c1-11(2)14-7-5-4-6-12(14)10-18(3)15(19)13-8-16-17-9-13/h4-9,11H,10H2,1-3H3,(H,16,17)
InChIKeyCYOPESCNWITJCD-UHFFFAOYSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 77085626
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
N-(furan-3-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 61151195
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 166241443
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 80671538
N,N-diphenyl-1H-pyrazole-4-carboxamide
CID 91240587
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804
N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
CID 129078811
N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 107205772
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 118467869) is N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is CC(C)c1ccccc1CN(C)C(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CYOPESCNWITJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)14-7-5-4-6-12(14)10-18(3)15(19)13-8-16-17-9-13/h4-9,11H,10H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118467869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).