N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide

C18H22FN5O2 — CID 135375919

IUPACN-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H22FN5O2/c1-14(25)21(2)17-11-20-24(13-17)18(26)23-8-6-22(7-9-23)12-15-4-3-5-16(19)10-15/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyCGKDTKRKCBQSMV-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.79
Rot. Bonds3

About N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375919) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375919
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H22FN5O2/c1-14(25)21(2)17-11-20-24(13-17)18(26)23-8-6-22(7-9-23)12-15-4-3-5-16(19)10-15/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyCGKDTKRKCBQSMV-UHFFFAOYSA-N
XLogP1.79
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
1-(4-Benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526834
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
N-[2-[3-(2-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537511
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155545623
US9963443, Reference Example 23
CID 76284251
US10323038, Example 116
CID 135375447

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375919) is N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is CGKDTKRKCBQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-14(25)21(2)17-11-20-24(13-17)18(26)23-8-6-22(7-9-23)12-15-4-3-5-16(19)10-15/h3-5,10-11,13H,6-9,12H2,1-2H3.
What are the key properties of N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 359.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).