1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine

C17H23FN4 — CID 90037111

IUPAC1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine
SMILESNc1cnn(C(c2ccccc2)C2CCN(CCF)CC2)c1
InChIInChI=1S/C17H23FN4/c18-8-11-21-9-6-15(7-10-21)17(14-4-2-1-3-5-14)22-13-16(19)12-20-22/h1-5,12-13,15,17H,6-11,19H2
InChIKeyDPQTYXJLWNUYIC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.74
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine

1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine (PubChem CID 90037111) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine
PubChem CID90037111
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine
SMILESNc1cnn(C(c2ccccc2)C2CCN(CCF)CC2)c1
InChIInChI=1S/C17H23FN4/c18-8-11-21-9-6-15(7-10-21)17(14-4-2-1-3-5-14)22-13-16(19)12-20-22/h1-5,12-13,15,17H,6-11,19H2
InChIKeyDPQTYXJLWNUYIC-UHFFFAOYSA-N
XLogP2.74
TPSA47.08 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
4-[(2-Fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
CID 28357663
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487911
1,2-dimethyl-4-[2-(1H-pyrazol-1-ylmethyl)benzyl]piperazine
CID 50962406
N-[[1-(2,4-difluorophenyl)-3-(p-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546529

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine?
The IUPAC name of 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine (CID 90037111) is 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine?
The canonical SMILES for 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine is Nc1cnn(C(c2ccccc2)C2CCN(CCF)CC2)c1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine?
The InChIKey is DPQTYXJLWNUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c18-8-11-21-9-6-15(7-10-21)17(14-4-2-1-3-5-14)22-13-16(19)12-20-22/h1-5,12-13,15,17H,6-11,19H2.
What are the key properties of 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine?
1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine has a molecular weight of 302.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)piperidin-4-yl]-phenylmethyl]pyrazol-4-amine is sourced from PubChem (CID 90037111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).