N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C23H30F3N5O — CID 45180714

IUPACN-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccnc1)CC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C23H30F3N5O/c24-23(25,26)21-12-20(28-29-21)22(32)31(14-17-6-4-10-27-13-17)16-18-7-5-11-30(15-18)19-8-2-1-3-9-19/h4,6,10,12-13,18-19H,1-3,5,7-9,11,14-16H2,(H,28,29)
InChIKeyFESGSRNOGJYXFK-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.51
Rot. Bonds6

About N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 45180714) has the molecular formula C23H30F3N5O and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID45180714
Molecular FormulaC23H30F3N5O
Molecular Weight449.52 g/mol
Exact Mass449.24
IUPAC NameN-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccnc1)CC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C23H30F3N5O/c24-23(25,26)21-12-20(28-29-21)22(32)31(14-17-6-4-10-27-13-17)16-18-7-5-11-30(15-18)19-8-2-1-3-9-19/h4,6,10,12-13,18-19H,1-3,5,7-9,11,14-16H2,(H,28,29)
InChIKeyFESGSRNOGJYXFK-UHFFFAOYSA-N
XLogP4.51
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
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N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
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CID 42293272
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CID 29150071
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 45180714) is N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccnc1)CC1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FESGSRNOGJYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O/c24-23(25,26)21-12-20(28-29-21)22(32)31(14-17-6-4-10-27-13-17)16-18-7-5-11-30(15-18)19-8-2-1-3-9-19/h4,6,10,12-13,18-19H,1-3,5,7-9,11,14-16H2,(H,28,29).
What are the key properties of N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45180714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).