4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H18ClF3N4O2 — CID 118774838

IUPAC4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C14H18ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(23)19-8-6-24-7-9(8)22-4-2-3-5-22/h8-9H,2-7H2,1H3,(H,19,23)/t8-,9-/m0/s1
InChIKeyJKIJNQKGOZEKKB-IUCAKERBSA-N
MW366.77 g/mol
LogP1.69
Rot. Bonds3

About 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 118774838) has the molecular formula C14H18ClF3N4O2 and a molecular weight of 366.77 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID118774838
Molecular FormulaC14H18ClF3N4O2
Molecular Weight366.77 g/mol
Exact Mass366.11
IUPAC Name4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C14H18ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(23)19-8-6-24-7-9(8)22-4-2-3-5-22/h8-9H,2-7H2,1H3,(H,19,23)/t8-,9-/m0/s1
InChIKeyJKIJNQKGOZEKKB-IUCAKERBSA-N
XLogP1.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
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4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
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(3S)-4-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-ethylmorpholine
CID 70772303
4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 74249066
4-chloro-1,3-dimethyl-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]pyrazole-5-carboxamide
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4-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 125175890
[4-Chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
CID 168452305
(4-Chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 171359420
[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
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[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl](morpholin-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 118774838) is 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JKIJNQKGOZEKKB-IUCAKERBSA-N. The full InChI is InChI=1S/C14H18ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(23)19-8-6-24-7-9(8)22-4-2-3-5-22/h8-9H,2-7H2,1H3,(H,19,23)/t8-,9-/m0/s1.
What are the key properties of 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 366.77 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118774838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).