2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol

C13H14N2O — CID 79333368

IUPAC2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol
SMILESCC1CC1(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H14N2O/c1-10-7-13(10,16)11-8-14-15(9-11)12-5-3-2-4-6-12/h2-6,8-10,16H,7H2,1H3
InChIKeyZCSWCEMWZVBMEF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds2

About 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol

2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol (PubChem CID 79333368) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol
PubChem CID79333368
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol
SMILESCC1CC1(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H14N2O/c1-10-7-13(10,16)11-8-14-15(9-11)12-5-3-2-4-6-12/h2-6,8-10,16H,7H2,1H3
InChIKeyZCSWCEMWZVBMEF-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3-hydroxy-3-(1-phenylpyrazol-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962890
(1-phenylpyrazol-4-yl)boronic acid
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CID 70397428
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
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4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
CID 64687894
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
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N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
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N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
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CID 103575963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol?
The IUPAC name of 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol (CID 79333368) is 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol is CC1CC1(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol?
The InChIKey is ZCSWCEMWZVBMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-7-13(10,16)11-8-14-15(9-11)12-5-3-2-4-6-12/h2-6,8-10,16H,7H2,1H3.
What are the key properties of 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol?
2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol has a molecular weight of 214.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 79333368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).