5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide

C25H27F3N6O — CID 166621779

IUPAC5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1
InChIInChI=1S/C25H27F3N6O/c1-33-14-4-5-17(33)10-12-29-23(35)19-15-31-34(22(19)16-8-9-16)24-30-13-11-21(32-24)18-6-2-3-7-20(18)25(26,27)28/h2-3,6-7,11,13,15-17H,4-5,8-10,12,14H2,1H3,(H,29,35)
InChIKeyGXSGZPONOILDMO-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.44
Rot. Bonds7

About 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide

5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 166621779) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
PubChem CID166621779
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC Name5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1
InChIInChI=1S/C25H27F3N6O/c1-33-14-4-5-17(33)10-12-29-23(35)19-15-31-34(22(19)16-8-9-16)24-30-13-11-21(32-24)18-6-2-3-7-20(18)25(26,27)28/h2-3,6-7,11,13,15-17H,4-5,8-10,12,14H2,1H3,(H,29,35)
InChIKeyGXSGZPONOILDMO-UHFFFAOYSA-N
XLogP4.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(2-methoxyethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42247667
5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 45166348
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887
5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 25326947
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 42375886
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 42430014
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118758281
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 45242343
5-cyclopropyl-N-ethyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172287
5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26345059

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide (CID 166621779) is 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide is CN1CCCC1CCNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The InChIKey is GXSGZPONOILDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-33-14-4-5-17(33)10-12-29-23(35)19-15-31-34(22(19)16-8-9-16)24-30-13-11-21(32-24)18-6-2-3-7-20(18)25(26,27)28/h2-3,6-7,11,13,15-17H,4-5,8-10,12,14H2,1H3,(H,29,35).
What are the key properties of 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 166621779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).