[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone

C14H18ClF3N4O — CID 118794649

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C14H18ClF3N4O/c1-20-11(10(15)12(19-20)14(16,17)18)13(23)22-7-9(8-22)21-5-3-2-4-6-21/h9H,2-8H2,1H3
InChIKeyRCAZCJHODYVLMO-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.40
Rot. Bonds2

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone (PubChem CID 118794649) has the molecular formula C14H18ClF3N4O and a molecular weight of 350.77 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone
PubChem CID118794649
Molecular FormulaC14H18ClF3N4O
Molecular Weight350.77 g/mol
Exact Mass350.11
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C14H18ClF3N4O/c1-20-11(10(15)12(19-20)14(16,17)18)13(23)22-7-9(8-22)21-5-3-2-4-6-21/h9H,2-8H2,1H3
InChIKeyRCAZCJHODYVLMO-UHFFFAOYSA-N
XLogP2.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
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[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
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[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone
CID 74248089
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19479111
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CID 95589917
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 4768154
4-chloro-1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4767775
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323183
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
N-(2-adamantyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone (CID 118794649) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(N2CCCCC2)C1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
The InChIKey is RCAZCJHODYVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N4O/c1-20-11(10(15)12(19-20)14(16,17)18)13(23)22-7-9(8-22)21-5-3-2-4-6-21/h9H,2-8H2,1H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone has a molecular weight of 350.77 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-piperidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 118794649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).