(1-pentan-3-yl-5-propylpyrazol-4-yl)methanol

C12H22N2O — CID 66439415

IUPAC(1-pentan-3-yl-5-propylpyrazol-4-yl)methanol
SMILESCCCc1c(CO)cnn1C(CC)CC
InChIInChI=1S/C12H22N2O/c1-4-7-12-10(9-15)8-13-14(12)11(5-2)6-3/h8,11,15H,4-7,9H2,1-3H3
InChIKeyDMUGGYWNRZCPAS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.69
Rot. Bonds6

About (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol

(1-pentan-3-yl-5-propylpyrazol-4-yl)methanol (PubChem CID 66439415) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-pentan-3-yl-5-propylpyrazol-4-yl)methanol
PubChem CID66439415
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1-pentan-3-yl-5-propylpyrazol-4-yl)methanol
SMILESCCCc1c(CO)cnn1C(CC)CC
InChIInChI=1S/C12H22N2O/c1-4-7-12-10(9-15)8-13-14(12)11(5-2)6-3/h8,11,15H,4-7,9H2,1-3H3
InChIKeyDMUGGYWNRZCPAS-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol?
The IUPAC name of (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol (CID 66439415) is (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol?
The canonical SMILES for (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol is CCCc1c(CO)cnn1C(CC)CC.
What is the InChIKey of (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol?
The InChIKey is DMUGGYWNRZCPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-12-10(9-15)8-13-14(12)11(5-2)6-3/h8,11,15H,4-7,9H2,1-3H3.
What are the key properties of (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol?
(1-pentan-3-yl-5-propylpyrazol-4-yl)methanol has a molecular weight of 210.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentan-3-yl-5-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 66439415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).