N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C27H29N5O3 — CID 156904387

IUPACN-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(N)cc(OCCN(C)C)c2)c1
InChIInChI=1S/C27H29N5O3/c1-31(2)12-13-35-24-16-20(28)15-21(17-24)29-27(33)25-18-32(22-9-5-4-6-10-22)30-26(25)19-8-7-11-23(14-19)34-3/h4-11,14-18H,12-13,28H2,1-3H3,(H,29,33)
InChIKeyNWVGIQQWHJQSRJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.32
Rot. Bonds9

About N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 156904387) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID156904387
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(N)cc(OCCN(C)C)c2)c1
InChIInChI=1S/C27H29N5O3/c1-31(2)12-13-35-24-16-20(28)15-21(17-24)29-27(33)25-18-32(22-9-5-4-6-10-22)30-26(25)19-8-7-11-23(14-19)34-3/h4-11,14-18H,12-13,28H2,1-3H3,(H,29,33)
InChIKeyNWVGIQQWHJQSRJ-UHFFFAOYSA-N
XLogP4.32
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-cyanopropoxy)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55879339
methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate
CID 156904374
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46797403
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 156904387) is N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(N)cc(OCCN(C)C)c2)c1.
What is the InChIKey of N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is NWVGIQQWHJQSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-31(2)12-13-35-24-16-20(28)15-21(17-24)29-27(33)25-18-32(22-9-5-4-6-10-22)30-26(25)19-8-7-11-23(14-19)34-3/h4-11,14-18H,12-13,28H2,1-3H3,(H,29,33).
What are the key properties of N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 156904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).