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

C14H17N3O2 — CID 28742929

IUPACN-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C14H17N3O2/c1-9-13(10(2)17(4)15-9)14(19)16(3)11-5-7-12(18)8-6-11/h5-8,18H,1-4H3
InChIKeyKCRGUMRPECLUKP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds2

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

N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 28742929) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID28742929
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C14H17N3O2/c1-9-13(10(2)17(4)15-9)14(19)16(3)11-5-7-12(18)8-6-11/h5-8,18H,1-4H3
InChIKeyKCRGUMRPECLUKP-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 28742929) is N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is KCRGUMRPECLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(10(2)17(4)15-9)14(19)16(3)11-5-7-12(18)8-6-11/h5-8,18H,1-4H3.
What are the key properties of N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).