(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone

C14H18N2O2 — CID 3136589

IUPAC(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(O)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-10-13(2,3)14(4,18)16(15-10)12(17)11-8-6-5-7-9-11/h5-9,18H,1-4H3
InChIKeyWHTDOWIWFZLPEJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds1

About (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone

(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone (PubChem CID 3136589) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone
PubChem CID3136589
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(O)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-10-13(2,3)14(4,18)16(15-10)12(17)11-8-6-5-7-9-11/h5-9,18H,1-4H3
InChIKeyWHTDOWIWFZLPEJ-UHFFFAOYSA-N
XLogP2.25
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-ditert-butyl-5-hydroxy-4H-pyrazol-1-yl)-phenylmethanone
CID 2844994
(5-tert-butyl-5-hydroxy-3-propan-2-yl-4H-pyrazol-1-yl)-phenylmethanone
CID 2860099
4-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzamide
CID 4100986
5-[difluoro(trifluoromethoxy)methyl]-3-methyl-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 5055465
5-ethyl-1-(2-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 4415958
AC1Mepnb
CID 2859117
methyl 1-benzoyl-5-ethyl-5-hydroxy-4H-pyrazole-3-carboxylate
CID 6620639
methyl 1-benzoyl-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate
CID 9550934
2-Pyrazolin-5-ol, 5-tert-butyl-1-(3-chlorobenzoyl)-3-trifluoromethyl-
CID 587136
1-(4-Chlorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 587348
3-Ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 615676
(3-bromophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2845022

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone?
The IUPAC name of (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone (CID 3136589) is (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone?
The canonical SMILES for (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone is CC1=NN(C(=O)c2ccccc2)C(C)(O)C1(C)C.
What is the InChIKey of (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone?
The InChIKey is WHTDOWIWFZLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-13(2,3)14(4,18)16(15-10)12(17)11-8-6-5-7-9-11/h5-9,18H,1-4H3.
What are the key properties of (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone?
(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone has a molecular weight of 246.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone is sourced from PubChem (CID 3136589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).