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

C10H16F3N3 — CID 62044518

IUPACN-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
SMILESCCCC(Cn1ccc(C(F)(F)F)n1)NC
InChIInChI=1S/C10H16F3N3/c1-3-4-8(14-2)7-16-6-5-9(15-16)10(11,12)13/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyCCPMJHKBIKHYJW-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.29
Rot. Bonds5

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

N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine (PubChem CID 62044518) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
PubChem CID62044518
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
SMILESCCCC(Cn1ccc(C(F)(F)F)n1)NC
InChIInChI=1S/C10H16F3N3/c1-3-4-8(14-2)7-16-6-5-9(15-16)10(11,12)13/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyCCPMJHKBIKHYJW-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine (CID 62044518) is N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine is CCCC(Cn1ccc(C(F)(F)F)n1)NC.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The InChIKey is CCPMJHKBIKHYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-4-8(14-2)7-16-6-5-9(15-16)10(11,12)13/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine is sourced from PubChem (CID 62044518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).