(1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol

C12H19N5O — CID 103572580

IUPAC(1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cnnn2CCC)cn1
InChIInChI=1S/C12H19N5O/c1-3-5-16-9-10(7-14-16)12(18)11-8-13-15-17(11)6-4-2/h7-9,12,18H,3-6H2,1-2H3
InChIKeyKRMDAAFYPGSFDM-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.38
Rot. Bonds6

About (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol

(1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol (PubChem CID 103572580) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol
PubChem CID103572580
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cnnn2CCC)cn1
InChIInChI=1S/C12H19N5O/c1-3-5-16-9-10(7-14-16)12(18)11-8-13-15-17(11)6-4-2/h7-9,12,18H,3-6H2,1-2H3
InChIKeyKRMDAAFYPGSFDM-UHFFFAOYSA-N
XLogP1.38
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol (CID 103572580) is (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol is CCCn1cc(C(O)c2cnnn2CCC)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is KRMDAAFYPGSFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-5-16-9-10(7-14-16)12(18)11-8-13-15-17(11)6-4-2/h7-9,12,18H,3-6H2,1-2H3.
What are the key properties of (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol?
(1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 249.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 103572580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).