4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C12H14N4O2 — CID 63101793

IUPAC4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C12H14N4O2/c1-16(7-8-2-4-9(17)5-3-8)12(18)11-10(13)6-14-15-11/h2-6,17H,7,13H2,1H3,(H,14,15)
InChIKeyOUOAJBKLJTYZQY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63101793) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63101793
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C12H14N4O2/c1-16(7-8-2-4-9(17)5-3-8)12(18)11-10(13)6-14-15-11/h2-6,17H,7,13H2,1H3,(H,14,15)
InChIKeyOUOAJBKLJTYZQY-UHFFFAOYSA-N
XLogP0.97
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55179183
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63103405
4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
CID 63103255
N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104629381

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 63101793) is 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1ccc(O)cc1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is OUOAJBKLJTYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(7-8-2-4-9(17)5-3-8)12(18)11-10(13)6-14-15-11/h2-6,17H,7,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).