1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine

C14H23ClF3N3 — CID 79959281

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C14H23ClF3N3/c1-4-8-19-10(6-7-14(16,17)18)9-12-13(15)11(5-2)20-21(12)3/h10,19H,4-9H2,1-3H3
InChIKeyQDMGVEADBBLUQD-UHFFFAOYSA-N
MW325.81 g/mol
LogP3.89
Rot. Bonds8

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 79959281) has the molecular formula C14H23ClF3N3 and a molecular weight of 325.81 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID79959281
Molecular FormulaC14H23ClF3N3
Molecular Weight325.81 g/mol
Exact Mass325.15
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C14H23ClF3N3/c1-4-8-19-10(6-7-14(16,17)18)9-12-13(15)11(5-2)20-21(12)3/h10,19H,4-9H2,1-3H3
InChIKeyQDMGVEADBBLUQD-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-propoxy-N-propylbutan-2-amine
CID 105159851
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719549
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047262
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758165
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217584
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79413022
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
CID 104996645
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 104998602
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105159803
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159793

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 79959281) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1c(Cl)c(CC)nn1C.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is QDMGVEADBBLUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClF3N3/c1-4-8-19-10(6-7-14(16,17)18)9-12-13(15)11(5-2)20-21(12)3/h10,19H,4-9H2,1-3H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 325.81 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 79959281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).