N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C23H24F3N5O2 — CID 72700123

IUPACN-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1CCC(O)CC1
InChIInChI=1S/C23H24F3N5O2/c1-13-9-17(11-28-21(13)15-3-6-18(32)7-4-15)30-22(33)19-12-29-31(14(19)2)20-8-5-16(10-27-20)23(24,25)26/h5,8-12,15,18,32H,3-4,6-7H2,1-2H3,(H,30,33)
InChIKeyIICUDMJDKPBZLQ-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.57
Rot. Bonds4

About N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 72700123) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID72700123
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1CCC(O)CC1
InChIInChI=1S/C23H24F3N5O2/c1-13-9-17(11-28-21(13)15-3-6-18(32)7-4-15)30-22(33)19-12-29-31(14(19)2)20-8-5-16(10-27-20)23(24,25)26/h5,8-12,15,18,32H,3-4,6-7H2,1-2H3,(H,30,33)
InChIKeyIICUDMJDKPBZLQ-UHFFFAOYSA-N
XLogP4.57
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 72700123) is N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1CCC(O)CC1.
What is the InChIKey of N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is IICUDMJDKPBZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-13-9-17(11-28-21(13)15-3-6-18(32)7-4-15)30-22(33)19-12-29-31(14(19)2)20-8-5-16(10-27-20)23(24,25)26/h5,8-12,15,18,32H,3-4,6-7H2,1-2H3,(H,30,33).
What are the key properties of N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxycyclohexyl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72700123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).