[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol

C8H12N2O — CID 95004048

IUPAC[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
SMILESCn1cc([C@H]2C[C@H]2CO)cn1
InChIInChI=1S/C8H12N2O/c1-10-4-7(3-9-10)8-2-6(8)5-11/h3-4,6,8,11H,2,5H2,1H3/t6-,8-/m0/s1
InChIKeyURIYOLNFVQZPCW-XPUUQOCRSA-N
MW152.20 g/mol
LogP0.52
Rot. Bonds2

About [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol

[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol (PubChem CID 95004048) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
PubChem CID95004048
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
SMILESCn1cc([C@H]2C[C@H]2CO)cn1
InChIInChI=1S/C8H12N2O/c1-10-4-7(3-9-10)8-2-6(8)5-11/h3-4,6,8,11H,2,5H2,1H3/t6-,8-/m0/s1
InChIKeyURIYOLNFVQZPCW-XPUUQOCRSA-N
XLogP0.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710
[(3S,4R)-1-[[4-(hydroxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581535
[(3S,4R)-1-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581540
4-(5-chloro-2-ethylcyclohexyl)-1-methylpyrazole
CID 165496593
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120857534
[(1R)-2-pyrimidin-5-ylcyclopropyl]methanol
CID 146166086
[(3S,4R)-1-butylsulfonyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 128996429
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol
CID 100663483

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol (CID 95004048) is [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol is Cn1cc([C@H]2C[C@H]2CO)cn1.
What is the InChIKey of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol?
The InChIKey is URIYOLNFVQZPCW-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-4-7(3-9-10)8-2-6(8)5-11/h3-4,6,8,11H,2,5H2,1H3/t6-,8-/m0/s1.
What are the key properties of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol?
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol has a molecular weight of 152.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 95004048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).