N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide

C12H13N3O2 — CID 54898037

IUPACN-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H13N3O2/c1-15-11(5-6-13-15)12(17)14-10-4-2-3-9(7-10)8-16/h2-7,16H,8H2,1H3,(H,14,17)
InChIKeyMYUIXDGJKFDZFH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.16
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide

N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 54898037) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID54898037
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H13N3O2/c1-15-11(5-6-13-15)12(17)14-10-4-2-3-9(7-10)8-16/h2-7,16H,8H2,1H3,(H,14,17)
InChIKeyMYUIXDGJKFDZFH-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61000804
4-cyano-N-[3-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928560
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 62298914
N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60630049
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 17338244

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide (CID 54898037) is N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MYUIXDGJKFDZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-11(5-6-13-15)12(17)14-10-4-2-3-9(7-10)8-16/h2-7,16H,8H2,1H3,(H,14,17).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 54898037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).