4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole

C14H15N5O — CID 75442379

IUPAC4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cn2ccc(-c3ccco3)n2)n1C1CC1
InChIInChI=1S/C14H15N5O/c1-10-15-16-14(19(10)11-4-5-11)9-18-7-6-12(17-18)13-3-2-8-20-13/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyCEKIYEKCPADMTI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.43
Rot. Bonds4

About 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole

4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole (PubChem CID 75442379) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole
PubChem CID75442379
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cn2ccc(-c3ccco3)n2)n1C1CC1
InChIInChI=1S/C14H15N5O/c1-10-15-16-14(19(10)11-4-5-11)9-18-7-6-12(17-18)13-3-2-8-20-13/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyCEKIYEKCPADMTI-UHFFFAOYSA-N
XLogP2.43
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole (CID 75442379) is 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole is Cc1nnc(Cn2ccc(-c3ccco3)n2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole?
The InChIKey is CEKIYEKCPADMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-15-16-14(19(10)11-4-5-11)9-18-7-6-12(17-18)13-3-2-8-20-13/h2-3,6-8,11H,4-5,9H2,1H3.
What are the key properties of 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole?
4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole has a molecular weight of 269.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[[3-(furan-2-yl)pyrazol-1-yl]methyl]-5-methyl-1,2,4-triazole is sourced from PubChem (CID 75442379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).