N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C27H26N4O3 — CID 32942890

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C27H26N4O3/c1-19-8-7-9-20(16-19)26-24(17-31(29-26)22-10-5-4-6-11-22)27(33)28-21-12-14-23(15-13-21)34-18-25(32)30(2)3/h4-17H,18H2,1-3H3,(H,28,33)
InChIKeyNUQXPJWWTFAJMP-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.57
Rot. Bonds7

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 32942890) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID32942890
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C27H26N4O3/c1-19-8-7-9-20(16-19)26-24(17-31(29-26)22-10-5-4-6-11-22)27(33)28-21-12-14-23(15-13-21)34-18-25(32)30(2)3/h4-17H,18H2,1-3H3,(H,28,33)
InChIKeyNUQXPJWWTFAJMP-UHFFFAOYSA-N
XLogP4.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46593839
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 32942890) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is NUQXPJWWTFAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-19-8-7-9-20(16-19)26-24(17-31(29-26)22-10-5-4-6-11-22)27(33)28-21-12-14-23(15-13-21)34-18-25(32)30(2)3/h4-17H,18H2,1-3H3,(H,28,33).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 32942890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).