1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine

C17H22F2N4 — CID 120980251

IUPAC1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C17H22F2N4/c1-12(20)16-4-2-3-8-22(16)11-14-7-9-23(21-14)17-6-5-13(18)10-15(17)19/h5-7,9-10,12,16H,2-4,8,11,20H2,1H3
InChIKeyRSQTWZSBDNJOLI-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine

1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine (PubChem CID 120980251) has the molecular formula C17H22F2N4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine
PubChem CID120980251
Molecular FormulaC17H22F2N4
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C17H22F2N4/c1-12(20)16-4-2-3-8-22(16)11-14-7-9-23(21-14)17-6-5-13(18)10-15(17)19/h5-7,9-10,12,16H,2-4,8,11,20H2,1H3
InChIKeyRSQTWZSBDNJOLI-UHFFFAOYSA-N
XLogP2.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine (CID 120980251) is 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1ccn(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine?
The InChIKey is RSQTWZSBDNJOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4/c1-12(20)16-4-2-3-8-22(16)11-14-7-9-23(21-14)17-6-5-13(18)10-15(17)19/h5-7,9-10,12,16H,2-4,8,11,20H2,1H3.
What are the key properties of 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine?
1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine has a molecular weight of 320.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 120980251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).