1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol

C9H14N2O — CID 164911617

IUPAC1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol
SMILESCc1cnn(CC2(O)CC2)c1C
InChIInChI=1S/C9H14N2O/c1-7-5-10-11(8(7)2)6-9(12)3-4-9/h5,12H,3-4,6H2,1-2H3
InChIKeyPEFKJLPHKVQCOT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.02
Rot. Bonds2

About 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol

1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol (PubChem CID 164911617) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol
PubChem CID164911617
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol
SMILESCc1cnn(CC2(O)CC2)c1C
InChIInChI=1S/C9H14N2O/c1-7-5-10-11(8(7)2)6-9(12)3-4-9/h5,12H,3-4,6H2,1-2H3
InChIKeyPEFKJLPHKVQCOT-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]cyclopropan-1-ol
CID 176927365
1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole
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2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
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5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol (CID 164911617) is 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol is Cc1cnn(CC2(O)CC2)c1C.
What is the InChIKey of 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol?
The InChIKey is PEFKJLPHKVQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-5-10-11(8(7)2)6-9(12)3-4-9/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol?
1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 164911617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).