N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide

C19H27N3O — CID 42818320

IUPACN-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N(C)Cc2ccccc2)cnn1C(C)(C)C
InChIInChI=1S/C19H27N3O/c1-14(2)17-16(12-20-22(17)19(3,4)5)18(23)21(6)13-15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3
InChIKeyZNBYRTASJDCFGQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.03
Rot. Bonds4

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

N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42818320) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42818320
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N(C)Cc2ccccc2)cnn1C(C)(C)C
InChIInChI=1S/C19H27N3O/c1-14(2)17-16(12-20-22(17)19(3,4)5)18(23)21(6)13-15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3
InChIKeyZNBYRTASJDCFGQ-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
N-methyl-N-(naphthalen-2-ylmethyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427085
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 38742483
3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26332568
(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide
CID 99822953
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427540
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42818320) is N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)N(C)Cc2ccccc2)cnn1C(C)(C)C.
What is the InChIKey of N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZNBYRTASJDCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)17-16(12-20-22(17)19(3,4)5)18(23)21(6)13-15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3.
What are the key properties of N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42818320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).