4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine

C10H15ClF3N3 — CID 71062311

IUPAC4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCCNc1nn(CCC)c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H15ClF3N3/c1-3-5-15-9-7(11)8(10(12,13)14)17(16-9)6-4-2/h3-6H2,1-2H3,(H,15,16)
InChIKeyXDSIULSWEFWNSM-UHFFFAOYSA-N
MW269.70 g/mol
LogP3.79
Rot. Bonds5

About 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine

4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 71062311) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID71062311
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC Name4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCCNc1nn(CCC)c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H15ClF3N3/c1-3-5-15-9-7(11)8(10(12,13)14)17(16-9)6-4-2/h3-6H2,1-2H3,(H,15,16)
InChIKeyXDSIULSWEFWNSM-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine (CID 71062311) is 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine is CCCNc1nn(CCC)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is XDSIULSWEFWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3/c1-3-5-15-9-7(11)8(10(12,13)14)17(16-9)6-4-2/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 269.70 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 71062311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).