N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine

C12H18F3N3 — CID 55073091

IUPACN-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine
SMILESFC(F)(F)c1ccn(CCCCCNC2CC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)11-6-9-18(17-11)8-3-1-2-7-16-10-4-5-10/h6,9-10,16H,1-5,7-8H2
InChIKeyYGZLOEBFUVDFME-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.82
Rot. Bonds7

About N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine

N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine (PubChem CID 55073091) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine
PubChem CID55073091
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine
SMILESFC(F)(F)c1ccn(CCCCCNC2CC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)11-6-9-18(17-11)8-3-1-2-7-16-10-4-5-10/h6,9-10,16H,1-5,7-8H2
InChIKeyYGZLOEBFUVDFME-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethanamine
CID 19620741
[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]methanamine
CID 60136536
1-[1-(difluoromethyl)-1H-pyrazol-3-yl]methanamine hydrochloride
CID 90486237
(1-cyclohexyl-1H-pyrazol-5-yl)methanamine
CID 105438405
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile
CID 19616525
3-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)pentanenitrile
CID 25247439
1-Methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2780404
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 43663106
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 19620743

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine?
The IUPAC name of N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine (CID 55073091) is N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine?
The canonical SMILES for N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine is FC(F)(F)c1ccn(CCCCCNC2CC2)n1.
What is the InChIKey of N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine?
The InChIKey is YGZLOEBFUVDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)11-6-9-18(17-11)8-3-1-2-7-16-10-4-5-10/h6,9-10,16H,1-5,7-8H2.
What are the key properties of N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine?
N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine has a molecular weight of 261.29 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]cyclopropanamine is sourced from PubChem (CID 55073091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).