[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C24H29F3N4O2 — CID 25141100

IUPAC[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-16-21(23(32)30-13-9-18(10-14-30)29-11-2-3-12-29)22(17-7-8-17)31(28-16)19-5-4-6-20(15-19)33-24(25,26)27/h4-6,15,17-18H,2-3,7-14H2,1H3
InChIKeyHZJCXGVHSFCOAS-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.66
Rot. Bonds5

About [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 25141100) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID25141100
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-16-21(23(32)30-13-9-18(10-14-30)29-11-2-3-12-29)22(17-7-8-17)31(28-16)19-5-4-6-20(15-19)33-24(25,26)27/h4-6,15,17-18H,2-3,7-14H2,1H3
InChIKeyHZJCXGVHSFCOAS-UHFFFAOYSA-N
XLogP4.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10690190
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 16321718
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 2608184
3-[5-(2-Fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)propan-1-one
CID 46042780
3-[5-(2,4-Difluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)propan-1-one
CID 46042656
4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801171
4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803707
1-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]methyl]-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 177641087
4-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine-1-carbonyl}-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 52992575
4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801833
N-cyclopropyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzamide
CID 17557516
1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867240

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 25141100) is [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HZJCXGVHSFCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-16-21(23(32)30-13-9-18(10-14-30)29-11-2-3-12-29)22(17-7-8-17)31(28-16)19-5-4-6-20(15-19)33-24(25,26)27/h4-6,15,17-18H,2-3,7-14H2,1H3.
What are the key properties of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 462.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 25141100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).