3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole

C12H17N5 — CID 50980206

IUPAC3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole
SMILESCc1n[nH]c(C)c1CCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H17N5/c1-7-10(8(2)15-14-7)5-6-11-13-12(17-16-11)9-3-4-9/h9H,3-6H2,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyKSEFFZGBRKSZPQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.81
Rot. Bonds4

About 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole

3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole (PubChem CID 50980206) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole
PubChem CID50980206
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole
SMILESCc1n[nH]c(C)c1CCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H17N5/c1-7-10(8(2)15-14-7)5-6-11-13-12(17-16-11)9-3-4-9/h9H,3-6H2,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyKSEFFZGBRKSZPQ-UHFFFAOYSA-N
XLogP1.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1H-1,2,4-triazole
CID 72897188
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 91834330
ethane;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole
CID 170601764
2,6,7-triethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 10631608
2,7-diethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 10679803
2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 19002150
6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 59872343
5-methyl-3-[5-(5-methyl-1H-pyrazol-3-yl)hexan-2-yl]-1H-1,2,4-triazole
CID 155444236
3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3,5-ditert-butyl-1H-1,2,4-triazole
CID 164082342
1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 28078983
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 50954227
3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole
CID 50957974

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole (CID 50980206) is 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole is Cc1n[nH]c(C)c1CCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
The InChIKey is KSEFFZGBRKSZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-7-10(8(2)15-14-7)5-6-11-13-12(17-16-11)9-3-4-9/h9H,3-6H2,1-2H3,(H,14,15)(H,13,16,17).
What are the key properties of 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole has a molecular weight of 231.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 50980206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).