1-butyl-4-chloro-3-methylpyrazol-5-amine

C8H14ClN3 — CID 19619873

IUPAC1-butyl-4-chloro-3-methylpyrazol-5-amine
SMILESCCCCn1nc(C)c(Cl)c1N
InChIInChI=1S/C8H14ClN3/c1-3-4-5-12-8(10)7(9)6(2)11-12/h3-5,10H2,1-2H3
InChIKeySOFCTLHZTCDXOM-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.23
Rot. Bonds3

About 1-butyl-4-chloro-3-methylpyrazol-5-amine

1-butyl-4-chloro-3-methylpyrazol-5-amine (PubChem CID 19619873) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-butyl-4-chloro-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-4-chloro-3-methylpyrazol-5-amine
PubChem CID19619873
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name1-butyl-4-chloro-3-methylpyrazol-5-amine
SMILESCCCCn1nc(C)c(Cl)c1N
InChIInChI=1S/C8H14ClN3/c1-3-4-5-12-8(10)7(9)6(2)11-12/h3-5,10H2,1-2H3
InChIKeySOFCTLHZTCDXOM-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-chloro-3-methylpyrazol-5-amine?
The IUPAC name of 1-butyl-4-chloro-3-methylpyrazol-5-amine (CID 19619873) is 1-butyl-4-chloro-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-butyl-4-chloro-3-methylpyrazol-5-amine?
The canonical SMILES for 1-butyl-4-chloro-3-methylpyrazol-5-amine is CCCCn1nc(C)c(Cl)c1N.
What is the InChIKey of 1-butyl-4-chloro-3-methylpyrazol-5-amine?
The InChIKey is SOFCTLHZTCDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-3-4-5-12-8(10)7(9)6(2)11-12/h3-5,10H2,1-2H3.
What are the key properties of 1-butyl-4-chloro-3-methylpyrazol-5-amine?
1-butyl-4-chloro-3-methylpyrazol-5-amine has a molecular weight of 187.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-chloro-3-methylpyrazol-5-amine is sourced from PubChem (CID 19619873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).