4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde

C19H28F3N3O — CID 143534087

IUPAC4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde
SMILESCN(C)CC1(C=O)CCC(c2cc(C(F)(F)F)nn2C2CCCC2)CC1
InChIInChI=1S/C19H28F3N3O/c1-24(2)12-18(13-26)9-7-14(8-10-18)16-11-17(19(20,21)22)23-25(16)15-5-3-4-6-15/h11,13-15H,3-10,12H2,1-2H3
InChIKeyFPZVABRPPAMVSN-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.42
Rot. Bonds5

About 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde

4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde (PubChem CID 143534087) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde
PubChem CID143534087
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde
SMILESCN(C)CC1(C=O)CCC(c2cc(C(F)(F)F)nn2C2CCCC2)CC1
InChIInChI=1S/C19H28F3N3O/c1-24(2)12-18(13-26)9-7-14(8-10-18)16-11-17(19(20,21)22)23-25(16)15-5-3-4-6-15/h11,13-15H,3-10,12H2,1-2H3
InChIKeyFPZVABRPPAMVSN-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-3-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide
CID 142787905
5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide
CID 142787931
4-[5-(1,1-Difluoroethyl)-2-methylpyrazol-3-yl]bicyclo[2.2.2]octane-1-carbaldehyde
CID 154682930
4-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]bicyclo[2.2.2]octane-1-carbaldehyde
CID 154683306
4-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]bicyclo[2.2.2]octane-1-carbaldehyde
CID 155060454
5-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]pentanal
CID 166977476
1-[3-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde
CID 166977477
6-[1-(2,2-Difluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-one
CID 168906873
(3S)-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168906940
(3R)-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168906997
4-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168907004
4-[1-Propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168907097

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde (CID 143534087) is 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde is CN(C)CC1(C=O)CCC(c2cc(C(F)(F)F)nn2C2CCCC2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is FPZVABRPPAMVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-24(2)12-18(13-26)9-7-14(8-10-18)16-11-17(19(20,21)22)23-25(16)15-5-3-4-6-15/h11,13-15H,3-10,12H2,1-2H3.
What are the key properties of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 371.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 143534087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).