5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole

C13H19N5 — CID 154818634

IUPAC5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole
SMILESCCc1nc(-c2cc(C3CC3)nn2C)n(CC)n1
InChIInChI=1S/C13H19N5/c1-4-12-14-13(18(5-2)16-12)11-8-10(9-6-7-9)15-17(11)3/h8-9H,4-7H2,1-3H3
InChIKeyQZQGNNQCRWQUTH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.14
Rot. Bonds4

About 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole

5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole (PubChem CID 154818634) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole
PubChem CID154818634
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole
SMILESCCc1nc(-c2cc(C3CC3)nn2C)n(CC)n1
InChIInChI=1S/C13H19N5/c1-4-12-14-13(18(5-2)16-12)11-8-10(9-6-7-9)15-17(11)3/h8-9H,4-7H2,1-3H3
InChIKeyQZQGNNQCRWQUTH-UHFFFAOYSA-N
XLogP2.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole?
The IUPAC name of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole (CID 154818634) is 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole.
What is the SMILES notation for 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole?
The canonical SMILES for 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole is CCc1nc(-c2cc(C3CC3)nn2C)n(CC)n1.
What is the InChIKey of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole?
The InChIKey is QZQGNNQCRWQUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-12-14-13(18(5-2)16-12)11-8-10(9-6-7-9)15-17(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole?
5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole is sourced from PubChem (CID 154818634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).