4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine

C8H14ClN3 — CID 19619858

IUPAC4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1CC(C)C
InChIInChI=1S/C8H14ClN3/c1-5(2)4-12-6(3)7(9)8(10)11-12/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyBXUNJOVNTRXDCI-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine

4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine (PubChem CID 19619858) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
PubChem CID19619858
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1CC(C)C
InChIInChI=1S/C8H14ClN3/c1-5(2)4-12-6(3)7(9)8(10)11-12/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyBXUNJOVNTRXDCI-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine (CID 19619858) is 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine is Cc1c(Cl)c(N)nn1CC(C)C.
What is the InChIKey of 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is BXUNJOVNTRXDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-5(2)4-12-6(3)7(9)8(10)11-12/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 187.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 19619858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).