3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole

C10H14ClN5 — CID 141377827

IUPAC3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole
SMILESCCn1cnc(C(C)(C)n2ccc(Cl)n2)n1
InChIInChI=1S/C10H14ClN5/c1-4-15-7-12-9(14-15)10(2,3)16-6-5-8(11)13-16/h5-7H,4H2,1-3H3
InChIKeyYTPOGIKUVYCELF-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.93
Rot. Bonds3

About 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole

3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole (PubChem CID 141377827) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole
PubChem CID141377827
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole
SMILESCCn1cnc(C(C)(C)n2ccc(Cl)n2)n1
InChIInChI=1S/C10H14ClN5/c1-4-15-7-12-9(14-15)10(2,3)16-6-5-8(11)13-16/h5-7H,4H2,1-3H3
InChIKeyYTPOGIKUVYCELF-UHFFFAOYSA-N
XLogP1.93
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole?
The IUPAC name of 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole (CID 141377827) is 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole?
The canonical SMILES for 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole is CCn1cnc(C(C)(C)n2ccc(Cl)n2)n1.
What is the InChIKey of 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole?
The InChIKey is YTPOGIKUVYCELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-4-15-7-12-9(14-15)10(2,3)16-6-5-8(11)13-16/h5-7H,4H2,1-3H3.
What are the key properties of 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole?
3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole has a molecular weight of 239.71 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloropyrazol-1-yl)propan-2-yl]-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 141377827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).