N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

C10H16F3N3 — CID 90162159

IUPACN-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyUVDNSDUJRNLDQR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.59
Rot. Bonds4

About N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 90162159) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID90162159
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyUVDNSDUJRNLDQR-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (CID 90162159) is N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cn(C(C)C)nc1C(F)(F)F.
What is the InChIKey of N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is UVDNSDUJRNLDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 235.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 90162159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).