5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole

C10H17ClN2 — CID 66021366

IUPAC5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
SMILESCC(C)Cn1nc(C(C)C)cc1Cl
InChIInChI=1S/C10H17ClN2/c1-7(2)6-13-10(11)5-9(12-13)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyMYHGJAHXHUCGCW-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole

5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole (PubChem CID 66021366) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
PubChem CID66021366
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
SMILESCC(C)Cn1nc(C(C)C)cc1Cl
InChIInChI=1S/C10H17ClN2/c1-7(2)6-13-10(11)5-9(12-13)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyMYHGJAHXHUCGCW-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
The IUPAC name of 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole (CID 66021366) is 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole is CC(C)Cn1nc(C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
The InChIKey is MYHGJAHXHUCGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-7(2)6-13-10(11)5-9(12-13)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole has a molecular weight of 200.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 66021366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).