N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H13N3O2 — CID 19474178

IUPACN-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(O)c2)cnn1C
InChIInChI=1S/C12H13N3O2/c1-8-11(7-13-15(8)2)12(17)14-9-4-3-5-10(16)6-9/h3-7,16H,1-2H3,(H,14,17)
InChIKeyHFKUAAFJFQTWNZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds2

About N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 19474178) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID19474178
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(O)c2)cnn1C
InChIInChI=1S/C12H13N3O2/c1-8-11(7-13-15(8)2)12(17)14-9-4-3-5-10(16)6-9/h3-7,16H,1-2H3,(H,14,17)
InChIKeyHFKUAAFJFQTWNZ-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 19474178) is N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(O)c2)cnn1C.
What is the InChIKey of N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HFKUAAFJFQTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(7-13-15(8)2)12(17)14-9-4-3-5-10(16)6-9/h3-7,16H,1-2H3,(H,14,17).
What are the key properties of N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).