5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide

C11H13N3O2 — CID 140532059

IUPAC5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESCC1C(C(N)=O)=NNC1c1ccc(O)cc1
InChIInChI=1S/C11H13N3O2/c1-6-9(13-14-10(6)11(12)16)7-2-4-8(15)5-3-7/h2-6,9,13,15H,1H3,(H2,12,16)
InChIKeyIMVDKJGEBFFVFX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.51
Rot. Bonds2

About 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide

5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide (PubChem CID 140532059) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide
PubChem CID140532059
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESCC1C(C(N)=O)=NNC1c1ccc(O)cc1
InChIInChI=1S/C11H13N3O2/c1-6-9(13-14-10(6)11(12)16)7-2-4-8(15)5-3-7/h2-6,9,13,15H,1H3,(H2,12,16)
InChIKeyIMVDKJGEBFFVFX-UHFFFAOYSA-N
XLogP0.51
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide (CID 140532059) is 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide is CC1C(C(N)=O)=NNC1c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The InChIKey is IMVDKJGEBFFVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-9(13-14-10(6)11(12)16)7-2-4-8(15)5-3-7/h2-6,9,13,15H,1H3,(H2,12,16).
What are the key properties of 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 140532059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).