1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide

C22H25N3O3 — CID 167831436

IUPAC1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(OC(C)C)c(C)c3)cc2C)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)28-21-11-6-17(12-15(21)3)23-22(26)20-13-16(4)25(24-20)18-7-9-19(27-5)10-8-18/h6-14H,1-5H3,(H,23,26)
InChIKeyVHBXXCJVAMXCEF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide (PubChem CID 167831436) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide
PubChem CID167831436
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(OC(C)C)c(C)c3)cc2C)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)28-21-11-6-17(12-15(21)3)23-22(26)20-13-16(4)25(24-20)18-7-9-19(27-5)10-8-18/h6-14H,1-5H3,(H,23,26)
InChIKeyVHBXXCJVAMXCEF-UHFFFAOYSA-N
XLogP4.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120521108
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685767
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
4-[[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542009
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide (CID 167831436) is 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccc(OC(C)C)c(C)c3)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
The InChIKey is VHBXXCJVAMXCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)28-21-11-6-17(12-15(21)3)23-22(26)20-13-16(4)25(24-20)18-7-9-19(27-5)10-8-18/h6-14H,1-5H3,(H,23,26).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 167831436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).