N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C24H25N5O2 — CID 55607536

IUPACN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cnn(-c3ccccc3C)c2C)c2nccn2C)c1
InChIInChI=1S/C24H25N5O2/c1-16-8-5-6-11-21(16)29-17(2)20(15-26-29)24(30)27-22(23-25-12-13-28(23)3)18-9-7-10-19(14-18)31-4/h5-15,22H,1-4H3,(H,27,30)
InChIKeyXCGMVWZAYDNUJJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.75
Rot. Bonds6

About N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55607536) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55607536
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cnn(-c3ccccc3C)c2C)c2nccn2C)c1
InChIInChI=1S/C24H25N5O2/c1-16-8-5-6-11-21(16)29-17(2)20(15-26-29)24(30)27-22(23-25-12-13-28(23)3)18-9-7-10-19(14-18)31-4/h5-15,22H,1-4H3,(H,27,30)
InChIKeyXCGMVWZAYDNUJJ-UHFFFAOYSA-N
XLogP3.75
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55457676
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
CID 31358493
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
CID 55870546

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55607536) is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is COc1cccc(C(NC(=O)c2cnn(-c3ccccc3C)c2C)c2nccn2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is XCGMVWZAYDNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-8-5-6-11-21(16)29-17(2)20(15-26-29)24(30)27-22(23-25-12-13-28(23)3)18-9-7-10-19(14-18)31-4/h5-15,22H,1-4H3,(H,27,30).
What are the key properties of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55607536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).