N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C22H26N4O2 — CID 119625953

IUPACN-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,23)15-24-21(27)19-14-26(13-16-7-5-4-6-8-16)25-20(19)17-9-11-18(28-3)12-10-17/h4-12,14H,13,15,23H2,1-3H3,(H,24,27)
InChIKeyNNNUQQUKYYMSKG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.07
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide

N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 119625953) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID119625953
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,23)15-24-21(27)19-14-26(13-16-7-5-4-6-8-16)25-20(19)17-9-11-18(28-3)12-10-17/h4-12,14H,13,15,23H2,1-3H3,(H,24,27)
InChIKeyNNNUQQUKYYMSKG-UHFFFAOYSA-N
XLogP3.07
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 86974156
1-benzyl-3-(4-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42034029
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 119625953) is N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)(C)N)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is NNNUQQUKYYMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,23)15-24-21(27)19-14-26(13-16-7-5-4-6-8-16)25-20(19)17-9-11-18(28-3)12-10-17/h4-12,14H,13,15,23H2,1-3H3,(H,24,27).
What are the key properties of N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119625953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).