2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine

C17H23FN4 — CID 71879850

IUPAC2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESCCN1CCC(n2nccc2NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4/c1-2-21-11-8-16(9-12-21)22-17(7-10-20-22)19-13-14-3-5-15(18)6-4-14/h3-7,10,16,19H,2,8-9,11-13H2,1H3
InChIKeyGCKXLPQSOPKPOS-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.29
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine

2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 71879850) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID71879850
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESCCN1CCC(n2nccc2NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4/c1-2-21-11-8-16(9-12-21)22-17(7-10-20-22)19-13-14-3-5-15(18)6-4-14/h3-7,10,16,19H,2,8-9,11-13H2,1H3
InChIKeyGCKXLPQSOPKPOS-UHFFFAOYSA-N
XLogP3.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine (CID 71879850) is 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine is CCN1CCC(n2nccc2NCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is GCKXLPQSOPKPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-2-21-11-8-16(9-12-21)22-17(7-10-20-22)19-13-14-3-5-15(18)6-4-14/h3-7,10,16,19H,2,8-9,11-13H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 302.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71879850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).