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

C9H16ClN3 — CID 130519474

IUPAC4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine
SMILESCC(C)CC(C)n1cc(Cl)c(N)n1
InChIInChI=1S/C9H16ClN3/c1-6(2)4-7(3)13-5-8(10)9(11)12-13/h5-7H,4H2,1-3H3,(H2,11,12)
InChIKeyPDTOZKUNYBHMKC-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.73
Rot. Bonds3

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

4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine (PubChem CID 130519474) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine
PubChem CID130519474
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine
SMILESCC(C)CC(C)n1cc(Cl)c(N)n1
InChIInChI=1S/C9H16ClN3/c1-6(2)4-7(3)13-5-8(10)9(11)12-13/h5-7H,4H2,1-3H3,(H2,11,12)
InChIKeyPDTOZKUNYBHMKC-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine (CID 130519474) is 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine is CC(C)CC(C)n1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine?
The InChIKey is PDTOZKUNYBHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-6(2)4-7(3)13-5-8(10)9(11)12-13/h5-7H,4H2,1-3H3,(H2,11,12).
What are the key properties of 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine?
4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine has a molecular weight of 201.70 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 130519474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).