N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide

C16H22N4O — CID 119629878

IUPACN-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N)cnn1Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-12-14(15(21)18-11-16(2,3)17)9-19-20(12)10-13-7-5-4-6-8-13/h4-9H,10-11,17H2,1-3H3,(H,18,21)
InChIKeyLNFPEZRCZPSARF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.71
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide

N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide (PubChem CID 119629878) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
PubChem CID119629878
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N)cnn1Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-12-14(15(21)18-11-16(2,3)17)9-19-20(12)10-13-7-5-4-6-8-13/h4-9H,10-11,17H2,1-3H3,(H,18,21)
InChIKeyLNFPEZRCZPSARF-UHFFFAOYSA-N
XLogP1.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
tert-butyl N-[1-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-3-methylbutan-2-yl]carbamate
CID 86956613
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
N-[3-amino-2-[(2-chlorophenyl)methyl]-3-oxopropyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 166198105
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 112827142

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide (CID 119629878) is N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)(C)N)cnn1Cc1ccccc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
The InChIKey is LNFPEZRCZPSARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-14(15(21)18-11-16(2,3)17)9-19-20(12)10-13-7-5-4-6-8-13/h4-9H,10-11,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119629878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).