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

C10H15ClF3N3 — CID 71062226

IUPAC4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCCN(CCC)c1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H15ClF3N3/c1-3-5-17(6-4-2)9-7(11)8(15-16-9)10(12,13)14/h3-6H2,1-2H3,(H,15,16)
InChIKeyPIENFWCVGGKCLF-UHFFFAOYSA-N
MW269.70 g/mol
LogP3.71
Rot. Bonds5

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

4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 71062226) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID71062226
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC Name4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCCN(CCC)c1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H15ClF3N3/c1-3-5-17(6-4-2)9-7(11)8(15-16-9)10(12,13)14/h3-6H2,1-2H3,(H,15,16)
InChIKeyPIENFWCVGGKCLF-UHFFFAOYSA-N
XLogP3.71
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 71062226) is 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is CCCN(CCC)c1n[nH]c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is PIENFWCVGGKCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3/c1-3-5-17(6-4-2)9-7(11)8(15-16-9)10(12,13)14/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 269.70 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 71062226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).