1-pentyl-4-(trifluoromethyl)pyrazole

C9H13F3N2 — CID 173052071

IUPAC1-pentyl-4-(trifluoromethyl)pyrazole
SMILESCCCCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H13F3N2/c1-2-3-4-5-14-7-8(6-13-14)9(10,11)12/h6-7H,2-5H2,1H3
InChIKeyBSTLNRYFDLFOEV-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.09
Rot. Bonds4

About 1-pentyl-4-(trifluoromethyl)pyrazole

1-pentyl-4-(trifluoromethyl)pyrazole (PubChem CID 173052071) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-pentyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-pentyl-4-(trifluoromethyl)pyrazole
PubChem CID173052071
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-pentyl-4-(trifluoromethyl)pyrazole
SMILESCCCCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H13F3N2/c1-2-3-4-5-14-7-8(6-13-14)9(10,11)12/h6-7H,2-5H2,1H3
InChIKeyBSTLNRYFDLFOEV-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pentyl-4-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dimethylpyrazole
CID 136836
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-ethyl-4-ethynyl-1H-pyrazole
CID 22042601
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
4-(chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 17854535
4-Ethynyl-1-(2-methylpropyl)-1H-pyrazole
CID 22042575
4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 57516620
1-ethyl-5-iodo-4-methyl-1H-pyrazole
CID 59435429
1-(2,2-difluoroethyl)-4-iodo-1H-pyrazole
CID 60136656

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-pentyl-4-(trifluoromethyl)pyrazole (CID 173052071) is 1-pentyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-pentyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-pentyl-4-(trifluoromethyl)pyrazole is CCCCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-pentyl-4-(trifluoromethyl)pyrazole?
The InChIKey is BSTLNRYFDLFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-2-3-4-5-14-7-8(6-13-14)9(10,11)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-pentyl-4-(trifluoromethyl)pyrazole?
1-pentyl-4-(trifluoromethyl)pyrazole has a molecular weight of 206.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 173052071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).