N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C22H24N4O3 — CID 60557988

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C22H24N4O3/c1-22(2,21(23)28)14-24-20(27)18-13-26(16-9-5-4-6-10-16)25-19(18)15-8-7-11-17(12-15)29-3/h4-13H,14H2,1-3H3,(H2,23,28)(H,24,27)
InChIKeyCHAVTZWKQKCNPW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.79
Rot. Bonds7

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 60557988) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID60557988
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C22H24N4O3/c1-22(2,21(23)28)14-24-20(27)18-13-26(16-9-5-4-6-10-16)25-19(18)15-8-7-11-17(12-15)29-3/h4-13H,14H2,1-3H3,(H2,23,28)(H,24,27)
InChIKeyCHAVTZWKQKCNPW-UHFFFAOYSA-N
XLogP2.79
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60558022
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 56543719
N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119998111

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 60557988) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)C(N)=O)c1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is CHAVTZWKQKCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2,21(23)28)14-24-20(27)18-13-26(16-9-5-4-6-10-16)25-19(18)15-8-7-11-17(12-15)29-3/h4-13H,14H2,1-3H3,(H2,23,28)(H,24,27).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60557988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).