N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C24H26F3N5O2 — CID 46446838

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)N2CCCC2)c1
InChIInChI=1S/C24H26F3N5O2/c1-16-20(14-30-32(16)22-9-8-18(13-28-22)24(25,26)27)23(33)29-15-21(31-10-3-4-11-31)17-6-5-7-19(12-17)34-2/h5-9,12-14,21H,3-4,10-11,15H2,1-2H3,(H,29,33)
InChIKeyWCHNMCXQAQZBRX-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 46446838) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID46446838
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)N2CCCC2)c1
InChIInChI=1S/C24H26F3N5O2/c1-16-20(14-30-32(16)22-9-8-18(13-28-22)24(25,26)27)23(33)29-15-21(31-10-3-4-11-31)17-6-5-7-19(12-17)34-2/h5-9,12-14,21H,3-4,10-11,15H2,1-2H3,(H,29,33)
InChIKeyWCHNMCXQAQZBRX-UHFFFAOYSA-N
XLogP4.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide
CID 42940079
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 42945536
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
CID 30695715
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86927595
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
N-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55717058
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 46536982
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43051833

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 46446838) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COc1cccc(C(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is WCHNMCXQAQZBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-16-20(14-30-32(16)22-9-8-18(13-28-22)24(25,26)27)23(33)29-15-21(31-10-3-4-11-31)17-6-5-7-19(12-17)34-2/h5-9,12-14,21H,3-4,10-11,15H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46446838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).