5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide

C22H24F3N5O2 — CID 167170842

IUPAC5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)NCC3=NCC(C(F)(F)F)C=C3)CC2N2CCCC2=O)cc1
InChIInChI=1S/C22H24F3N5O2/c1-14-4-6-15(7-5-14)20-18(29-10-2-3-19(29)31)13-30(28-20)21(32)27-12-17-9-8-16(11-26-17)22(23,24)25/h4-9,16,18H,2-3,10-13H2,1H3,(H,27,32)
InChIKeyCKOVMLLRXPZQNO-UHFFFAOYSA-N
MW447.46 g/mol
LogP2.90
Rot. Bonds4

About 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 167170842) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID167170842
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)NCC3=NCC(C(F)(F)F)C=C3)CC2N2CCCC2=O)cc1
InChIInChI=1S/C22H24F3N5O2/c1-14-4-6-15(7-5-14)20-18(29-10-2-3-19(29)31)13-30(28-20)21(32)27-12-17-9-8-16(11-26-17)22(23,24)25/h4-9,16,18H,2-3,10-13H2,1H3,(H,27,32)
InChIKeyCKOVMLLRXPZQNO-UHFFFAOYSA-N
XLogP2.90
TPSA77.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide (CID 167170842) is 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(C2=NN(C(=O)NCC3=NCC(C(F)(F)F)C=C3)CC2N2CCCC2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is CKOVMLLRXPZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-14-4-6-15(7-5-14)20-18(29-10-2-3-19(29)31)13-30(28-20)21(32)27-12-17-9-8-16(11-26-17)22(23,24)25/h4-9,16,18H,2-3,10-13H2,1H3,(H,27,32).
What are the key properties of 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]methyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 167170842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).