2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H15ClF3N3 — CID 62566959

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1nn(C(C)CNCC(F)(F)F)c(C)c1Cl
InChIInChI=1S/C10H15ClF3N3/c1-6(4-15-5-10(12,13)14)17-8(3)9(11)7(2)16-17/h6,15H,4-5H2,1-3H3
InChIKeyMBVMAQRNJGMKAE-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62566959) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62566959
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1nn(C(C)CNCC(F)(F)F)c(C)c1Cl
InChIInChI=1S/C10H15ClF3N3/c1-6(4-15-5-10(12,13)14)17-8(3)9(11)7(2)16-17/h6,15H,4-5H2,1-3H3
InChIKeyMBVMAQRNJGMKAE-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62566959) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1nn(C(C)CNCC(F)(F)F)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is MBVMAQRNJGMKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3/c1-6(4-15-5-10(12,13)14)17-8(3)9(11)7(2)16-17/h6,15H,4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 269.70 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62566959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).