N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine

C12H20F3N3 — CID 62044516

IUPACN-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
SMILESCCCNC(CCC)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N3/c1-3-5-10(16-7-4-2)9-18-8-6-11(17-18)12(13,14)15/h6,8,10,16H,3-5,7,9H2,1-2H3
InChIKeyDAFADDNYZRHIAL-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.07
Rot. Bonds7

About N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine

N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine (PubChem CID 62044516) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
PubChem CID62044516
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
SMILESCCCNC(CCC)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N3/c1-3-5-10(16-7-4-2)9-18-8-6-11(17-18)12(13,14)15/h6,8,10,16H,3-5,7,9H2,1-2H3
InChIKeyDAFADDNYZRHIAL-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
1-Methyl-5-[(methylamino)methyl]pyrazole
CID 7019426

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The IUPAC name of N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine (CID 62044516) is N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine.
What is the SMILES notation for N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The canonical SMILES for N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine is CCCNC(CCC)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The InChIKey is DAFADDNYZRHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-3-5-10(16-7-4-2)9-18-8-6-11(17-18)12(13,14)15/h6,8,10,16H,3-5,7,9H2,1-2H3.
What are the key properties of N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine is sourced from PubChem (CID 62044516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).