4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine

C19H26FN3 — CID 138707917

IUPAC4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine
SMILESCc1cccc(-n2cc(N3CCC(CF)CC3)c(C(C)C)n2)c1
InChIInChI=1S/C19H26FN3/c1-14(2)19-18(22-9-7-16(12-20)8-10-22)13-23(21-19)17-6-4-5-15(3)11-17/h4-6,11,13-14,16H,7-10,12H2,1-3H3
InChIKeyAWZLOOMWAXUQGW-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.49
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine

4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine (PubChem CID 138707917) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine
PubChem CID138707917
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine
SMILESCc1cccc(-n2cc(N3CCC(CF)CC3)c(C(C)C)n2)c1
InChIInChI=1S/C19H26FN3/c1-14(2)19-18(22-9-7-16(12-20)8-10-22)13-23(21-19)17-6-4-5-15(3)11-17/h4-6,11,13-14,16H,7-10,12H2,1-3H3
InChIKeyAWZLOOMWAXUQGW-UHFFFAOYSA-N
XLogP4.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane
CID 138707945
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
CID 117210699
1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine
CID 175085630
1-(3-methylphenyl)-4-(4-methylsulfonylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741409
4-[4-(fluoromethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 129024089
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061
methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine
CID 167711692
4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
CID 126742997

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine?
The IUPAC name of 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine (CID 138707917) is 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine is Cc1cccc(-n2cc(N3CCC(CF)CC3)c(C(C)C)n2)c1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine?
The InChIKey is AWZLOOMWAXUQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-14(2)19-18(22-9-7-16(12-20)8-10-22)13-23(21-19)17-6-4-5-15(3)11-17/h4-6,11,13-14,16H,7-10,12H2,1-3H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine?
4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine has a molecular weight of 315.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine is sourced from PubChem (CID 138707917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).