N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide

C13H15N3O2 — CID 103895193

IUPACN-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C13H15N3O2/c1-9-12(7-16(2)15-9)13(18)14-11-5-3-10(8-17)4-6-11/h3-7,17H,8H2,1-2H3,(H,14,18)
InChIKeyZRBKZPLBGPVRIK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.47
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide

N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103895193) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103895193
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C13H15N3O2/c1-9-12(7-16(2)15-9)13(18)14-11-5-3-10(8-17)4-6-11/h3-7,17H,8H2,1-2H3,(H,14,18)
InChIKeyZRBKZPLBGPVRIK-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 103895193) is N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZRBKZPLBGPVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-12(7-16(2)15-9)13(18)14-11-5-3-10(8-17)4-6-11/h3-7,17H,8H2,1-2H3,(H,14,18).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).