3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole

C12H18N2O — CID 141232563

IUPAC3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole
SMILESCC1(c2ccn(C[C@H]3CCCO3)n2)CC1
InChIInChI=1S/C12H18N2O/c1-12(5-6-12)11-4-7-14(13-11)9-10-3-2-8-15-10/h4,7,10H,2-3,5-6,8-9H2,1H3/t10-/m1/s1
InChIKeyYKZMSETUUVGJIH-SNVBAGLBSA-N
MW206.29 g/mol
LogP2.11
Rot. Bonds3

About 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole

3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole (PubChem CID 141232563) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole
PubChem CID141232563
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole
SMILESCC1(c2ccn(C[C@H]3CCCO3)n2)CC1
InChIInChI=1S/C12H18N2O/c1-12(5-6-12)11-4-7-14(13-11)9-10-3-2-8-15-10/h4,7,10H,2-3,5-6,8-9H2,1H3/t10-/m1/s1
InChIKeyYKZMSETUUVGJIH-SNVBAGLBSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)pyrazole
CID 175828675
1-[(5,5-Dimethyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 113544601
trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol
CID 15853904
3-T-Butyl-1-(2-hydroxyethyl)pyrazole
CID 53216845
Butyl 2-(3-cyclopropylpyrazol-1-yl)acetate
CID 64778172
1-(Oxan-2-ylmethyl)-3-propan-2-ylpyrazole
CID 68044722
1-(2-Methoxyethyl)-3-propan-2-ylpyrazole
CID 89707976
1-(3-Tert-butylpyrazol-1-yl)propan-2-ol
CID 102332322
Butyl 2-(3-tert-butylpyrazol-1-yl)acetate
CID 121265918
3-Tert-butyl-1-(oxan-4-yl)pyrazole
CID 121475953
3-Cyclopropyl-1-(oxan-2-yl)-1H-pyrazole
CID 122163236
2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine
CID 126619933

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
The IUPAC name of 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole (CID 141232563) is 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole.
What is the SMILES notation for 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
The canonical SMILES for 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole is CC1(c2ccn(C[C@H]3CCCO3)n2)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
The InChIKey is YKZMSETUUVGJIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(5-6-12)11-4-7-14(13-11)9-10-3-2-8-15-10/h4,7,10H,2-3,5-6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole has a molecular weight of 206.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole is sourced from PubChem (CID 141232563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).