[1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol

C12H17N5O — CID 167278885

IUPAC[1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
SMILESCc1nn(C)nc1C(O)c1cnn(CC2CC2)c1
InChIInChI=1S/C12H17N5O/c1-8-11(15-16(2)14-8)12(18)10-5-13-17(7-10)6-9-3-4-9/h5,7,9,12,18H,3-4,6H2,1-2H3
InChIKeyLQOZBDKKUPFJSV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.81
Rot. Bonds4

About [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol

[1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol (PubChem CID 167278885) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
PubChem CID167278885
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
SMILESCc1nn(C)nc1C(O)c1cnn(CC2CC2)c1
InChIInChI=1S/C12H17N5O/c1-8-11(15-16(2)14-8)12(18)10-5-13-17(7-10)6-9-3-4-9/h5,7,9,12,18H,3-4,6H2,1-2H3
InChIKeyLQOZBDKKUPFJSV-UHFFFAOYSA-N
XLogP0.81
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 164719164
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
[1-(cyclopropylmethyl)pyrazol-4-yl]-[5-iodo-2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methanol
CID 166559872
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
[1-(cyclopropylmethyl)pyrazol-4-yl]-[5-iodo-2-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]triazol-4-yl]methanol
CID 167278941
[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
CID 164718707
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol (CID 167278885) is [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol is Cc1nn(C)nc1C(O)c1cnn(CC2CC2)c1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The InChIKey is LQOZBDKKUPFJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-11(15-16(2)14-8)12(18)10-5-13-17(7-10)6-9-3-4-9/h5,7,9,12,18H,3-4,6H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
[1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol has a molecular weight of 247.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol is sourced from PubChem (CID 167278885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).