(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol

C10H16N2O — CID 66436592

IUPAC(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1ncc(CO)c1C1CC1
InChIInChI=1S/C10H16N2O/c1-7(2)12-10(8-3-4-8)9(6-13)5-11-12/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyQISCQIBFVWLQDR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds3

About (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol

(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 66436592) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
PubChem CID66436592
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1ncc(CO)c1C1CC1
InChIInChI=1S/C10H16N2O/c1-7(2)12-10(8-3-4-8)9(6-13)5-11-12/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyQISCQIBFVWLQDR-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol (CID 66436592) is (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol is CC(C)n1ncc(CO)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is QISCQIBFVWLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)12-10(8-3-4-8)9(6-13)5-11-12/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol?
(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 180.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 66436592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).