N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide

C11H10ClN3O2 — CID 103119634

IUPACN-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cl)c(O)c2)n1
InChIInChI=1S/C11H10ClN3O2/c1-15-5-4-9(14-15)11(17)13-7-2-3-8(12)10(16)6-7/h2-6,16H,1H3,(H,13,17)
InChIKeyBMXIUBGLZGIVCD-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.03
Rot. Bonds2

About N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide

N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103119634) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID103119634
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cl)c(O)c2)n1
InChIInChI=1S/C11H10ClN3O2/c1-15-5-4-9(14-15)11(17)13-7-2-3-8(12)10(16)6-7/h2-6,16H,1H3,(H,13,17)
InChIKeyBMXIUBGLZGIVCD-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
(E)-3-[2-fluoro-5-[(1-methylpyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 103122273
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 103121264

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide (CID 103119634) is N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Cl)c(O)c2)n1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is BMXIUBGLZGIVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-15-5-4-9(14-15)11(17)13-7-2-3-8(12)10(16)6-7/h2-6,16H,1H3,(H,13,17).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103119634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).