N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline

C15H17F2N3 — CID 19626149

IUPACN-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline
SMILESFc1ccc(NCc2ccnn2C2CCCC2)c(F)c1
InChIInChI=1S/C15H17F2N3/c16-11-5-6-15(14(17)9-11)18-10-13-7-8-19-20(13)12-3-1-2-4-12/h5-9,12,18H,1-4,10H2
InChIKeyZAXKVSPHPKBXAR-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.89
Rot. Bonds4

About N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline

N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline (PubChem CID 19626149) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline
PubChem CID19626149
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline
SMILESFc1ccc(NCc2ccnn2C2CCCC2)c(F)c1
InChIInChI=1S/C15H17F2N3/c16-11-5-6-15(14(17)9-11)18-10-13-7-8-19-20(13)12-3-1-2-4-12/h5-9,12,18H,1-4,10H2
InChIKeyZAXKVSPHPKBXAR-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626139
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
CID 165443973
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine
CID 166384545
5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771027
N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline
CID 166374920
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
2-(2-cyclohexylpyrazol-3-yl)acetonitrile
CID 105443852
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline?
The IUPAC name of N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline (CID 19626149) is N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline?
The canonical SMILES for N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline is Fc1ccc(NCc2ccnn2C2CCCC2)c(F)c1.
What is the InChIKey of N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline?
The InChIKey is ZAXKVSPHPKBXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-11-5-6-15(14(17)9-11)18-10-13-7-8-19-20(13)12-3-1-2-4-12/h5-9,12,18H,1-4,10H2.
What are the key properties of N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline?
N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline has a molecular weight of 277.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline is sourced from PubChem (CID 19626149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).