5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole

C12H17ClN4 — CID 165474574

IUPAC5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole
SMILESCCC(CC)n1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C12H17ClN4/c1-4-9(5-2)17-12(13)8-10(15-17)11-6-7-14-16(11)3/h6-9H,4-5H2,1-3H3
InChIKeyBFNDTRZYSKNKQE-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole

5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole (PubChem CID 165474574) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole
PubChem CID165474574
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole
SMILESCCC(CC)n1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C12H17ClN4/c1-4-9(5-2)17-12(13)8-10(15-17)11-6-7-14-16(11)3/h6-9H,4-5H2,1-3H3
InChIKeyBFNDTRZYSKNKQE-UHFFFAOYSA-N
XLogP3.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole?
The IUPAC name of 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole (CID 165474574) is 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole.
What is the SMILES notation for 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole?
The canonical SMILES for 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole is CCC(CC)n1nc(-c2ccnn2C)cc1Cl.
What is the InChIKey of 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole?
The InChIKey is BFNDTRZYSKNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-4-9(5-2)17-12(13)8-10(15-17)11-6-7-14-16(11)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole?
5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole has a molecular weight of 252.75 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole is sourced from PubChem (CID 165474574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).