4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine

C8H14ClN3 — CID 126999305

IUPAC4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine
SMILESCC(C)C(C)n1cc(Cl)c(N)n1
InChIInChI=1S/C8H14ClN3/c1-5(2)6(3)12-4-7(9)8(10)11-12/h4-6H,1-3H3,(H2,10,11)
InChIKeyAJPXZXMPSRQWEH-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine

4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine (PubChem CID 126999305) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine
PubChem CID126999305
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine
SMILESCC(C)C(C)n1cc(Cl)c(N)n1
InChIInChI=1S/C8H14ClN3/c1-5(2)6(3)12-4-7(9)8(10)11-12/h4-6H,1-3H3,(H2,10,11)
InChIKeyAJPXZXMPSRQWEH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine (CID 126999305) is 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine is CC(C)C(C)n1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine?
The InChIKey is AJPXZXMPSRQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-5(2)6(3)12-4-7(9)8(10)11-12/h4-6H,1-3H3,(H2,10,11).
What are the key properties of 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine?
4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine has a molecular weight of 187.67 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 126999305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).