1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C14H17N3O2 — CID 42818387

IUPAC1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(N)=O)c2C(C)C)cc1
InChIInChI=1S/C14H17N3O2/c1-9(2)13-12(14(15)18)8-16-17(13)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3,(H2,15,18)
InChIKeyVTIOPXRRQAKBBQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42818387) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42818387
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(N)=O)c2C(C)C)cc1
InChIInChI=1S/C14H17N3O2/c1-9(2)13-12(14(15)18)8-16-17(13)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3,(H2,15,18)
InChIKeyVTIOPXRRQAKBBQ-UHFFFAOYSA-N
XLogP2.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 97036083
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 3639099
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 46661785
5-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 81254450
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 42925864
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
CID 67052553

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 42818387) is 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide is COc1ccc(-n2ncc(C(N)=O)c2C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VTIOPXRRQAKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)13-12(14(15)18)8-16-17(13)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3,(H2,15,18).
What are the key properties of 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42818387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).