N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide

C13H15N3O2 — CID 45285299

IUPACN-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O2/c1-9-12(8-15(2)14-9)13(18)16(3)10-4-6-11(17)7-5-10/h4-8,17H,1-3H3
InChIKeyRLGAMMGNFWUNBN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds2

About N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide

N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 45285299) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID45285299
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O2/c1-9-12(8-15(2)14-9)13(18)16(3)10-4-6-11(17)7-5-10/h4-8,17H,1-3H3
InChIKeyRLGAMMGNFWUNBN-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
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-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide (CID 45285299) is N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is RLGAMMGNFWUNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-12(8-15(2)14-9)13(18)16(3)10-4-6-11(17)7-5-10/h4-8,17H,1-3H3.
What are the key properties of N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide?
N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.71, 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-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).