1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine

C8H14ClN3 — CID 19619875

IUPAC1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine
SMILESCCC(C)n1nc(C)c(Cl)c1N
InChIInChI=1S/C8H14ClN3/c1-4-5(2)12-8(10)7(9)6(3)11-12/h5H,4,10H2,1-3H3
InChIKeyNHYKAXRPIHHNCJ-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.40
Rot. Bonds2

About 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine

1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine (PubChem CID 19619875) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine
PubChem CID19619875
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine
SMILESCCC(C)n1nc(C)c(Cl)c1N
InChIInChI=1S/C8H14ClN3/c1-4-5(2)12-8(10)7(9)6(3)11-12/h5H,4,10H2,1-3H3
InChIKeyNHYKAXRPIHHNCJ-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine?
The IUPAC name of 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine (CID 19619875) is 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine?
The canonical SMILES for 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine is CCC(C)n1nc(C)c(Cl)c1N.
What is the InChIKey of 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine?
The InChIKey is NHYKAXRPIHHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-4-5(2)12-8(10)7(9)6(3)11-12/h5H,4,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine?
1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine has a molecular weight of 187.67 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-chloro-3-methylpyrazol-5-amine is sourced from PubChem (CID 19619875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).