(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol

C11H18N2O — CID 165441976

IUPAC(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol
SMILESCC(C)(C)n1nc(CO)cc1C1CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)13-10(8-4-5-8)6-9(7-14)12-13/h6,8,14H,4-5,7H2,1-3H3
InChIKeyUEACXUSQRMQLIS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.01
Rot. Bonds2

About (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol (PubChem CID 165441976) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol
PubChem CID165441976
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol
SMILESCC(C)(C)n1nc(CO)cc1C1CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)13-10(8-4-5-8)6-9(7-14)12-13/h6,8,14H,4-5,7H2,1-3H3
InChIKeyUEACXUSQRMQLIS-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclobutyl-1-methylpyrazol-3-yl)methanol
CID 164719502
1-tert-butyl-5-cyclobutylpyrazol-3-amine
CID 105447509
[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol
CID 82089024
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110900068
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
1-tert-butyl-5-cyclobutylpyrazole-3-carbaldehyde
CID 105459512
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096989
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129414668
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
CID 56817946
1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119252037

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol?
The IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol (CID 165441976) is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol?
The canonical SMILES for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol is CC(C)(C)n1nc(CO)cc1C1CC1.
What is the InChIKey of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol?
The InChIKey is UEACXUSQRMQLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)13-10(8-4-5-8)6-9(7-14)12-13/h6,8,14H,4-5,7H2,1-3H3.
What are the key properties of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol?
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol has a molecular weight of 194.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanol is sourced from PubChem (CID 165441976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).