5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H22F3N5O — CID 55977893

IUPAC5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2N2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N5O/c1-15-18(14-27-30(15)17-8-5-7-16(13-17)22(23,24)25)21(31)28-19-9-6-10-26-20(19)29-11-3-2-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,31)
InChIKeyQJRZUZNLHDYQJS-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.84
Rot. Bonds4

About 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55977893) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID55977893
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2N2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N5O/c1-15-18(14-27-30(15)17-8-5-7-16(13-17)22(23,24)25)21(31)28-19-9-6-10-26-20(19)29-11-3-2-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,31)
InChIKeyQJRZUZNLHDYQJS-UHFFFAOYSA-N
XLogP4.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 60549435
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azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
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methyl 2-hydroxy-3-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]benzoate
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N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55788013
5-methyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 55977893) is 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccnc2N2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is QJRZUZNLHDYQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-15-18(14-27-30(15)17-8-5-7-16(13-17)22(23,24)25)21(31)28-19-9-6-10-26-20(19)29-11-3-2-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,31).
What are the key properties of 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55977893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).