N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide

C12H13N3O2 — CID 64794504

IUPACN-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(CO)cc2)cn1
InChIInChI=1S/C12H13N3O2/c1-15-7-10(6-13-15)12(17)14-11-4-2-9(8-16)3-5-11/h2-7,16H,8H2,1H3,(H,14,17)
InChIKeyAAKQPRKZDJCLRF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.16
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide

N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 64794504) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID64794504
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(CO)cc2)cn1
InChIInChI=1S/C12H13N3O2/c1-15-7-10(6-13-15)12(17)14-11-4-2-9(8-16)3-5-11/h2-7,16H,8H2,1H3,(H,14,17)
InChIKeyAAKQPRKZDJCLRF-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

1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 65433326
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide (CID 64794504) is N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(CO)cc2)cn1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is AAKQPRKZDJCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-7-10(6-13-15)12(17)14-11-4-2-9(8-16)3-5-11/h2-7,16H,8H2,1H3,(H,14,17).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide?
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-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-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 64794504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).