N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine

C12H20F3N3 — CID 77097419

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
SMILESCc1n[nH]c(C)c1CCN(C)CC(C)C(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-8(12(13,14)15)7-18(4)6-5-11-9(2)16-17-10(11)3/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyVCXVUNPIJGUBGT-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine (PubChem CID 77097419) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
PubChem CID77097419
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
SMILESCc1n[nH]c(C)c1CCN(C)CC(C)C(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-8(12(13,14)15)7-18(4)6-5-11-9(2)16-17-10(11)3/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyVCXVUNPIJGUBGT-UHFFFAOYSA-N
XLogP2.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine (CID 77097419) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine is Cc1n[nH]c(C)c1CCN(C)CC(C)C(F)(F)F.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
The InChIKey is VCXVUNPIJGUBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-8(12(13,14)15)7-18(4)6-5-11-9(2)16-17-10(11)3/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 77097419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).