3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

C29H30N4O3 — CID 31646408

IUPAC3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C29H30N4O3/c1-31(20-22-12-14-23(15-13-22)32-16-18-36-19-17-32)29(34)26-21-33(24-8-4-3-5-9-24)30-28(26)25-10-6-7-11-27(25)35-2/h3-15,21H,16-20H2,1-2H3
InChIKeyPEOJPNDYDAYEPI-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.66
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 31646408) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID31646408
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C29H30N4O3/c1-31(20-22-12-14-23(15-13-22)32-16-18-36-19-17-32)29(34)26-21-33(24-8-4-3-5-9-24)30-28(26)25-10-6-7-11-27(25)35-2/h3-15,21H,16-20H2,1-2H3
InChIKeyPEOJPNDYDAYEPI-UHFFFAOYSA-N
XLogP4.66
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 40800144
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
N-[(4-cyanophenyl)methyl]-3-(2,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 39858570
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857
3-(2,5-dimethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 17428753
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
3-(2,5-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 38560790
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 46448346
3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32947167
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
3-(2,4-dimethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 56503666

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 31646408) is 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PEOJPNDYDAYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-31(20-22-12-14-23(15-13-22)32-16-18-36-19-17-32)29(34)26-21-33(24-8-4-3-5-9-24)30-28(26)25-10-6-7-11-27(25)35-2/h3-15,21H,16-20H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 31646408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).