4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide

C24H37F2N5O3 — CID 142995075

IUPAC4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@]1(F)CCCC(F)C1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(CNC2CCOCC2)CC1
InChIInChI=1S/C24H37F2N5O3/c1-24(26)10-2-3-18(25)20(24)22(32)30-19-14-28-31-21(19)23(33)29-17-6-4-15(5-7-17)13-27-16-8-11-34-12-9-16/h14-18,20,27H,2-13H2,1H3,(H,28,31)(H,29,33)(H,30,32)/t15?,17?,18?,20?,24-/m1/s1
InChIKeyZAJIYSQQYXWHFA-QPRJOLOYSA-N
MW481.59 g/mol
LogP3.27
Rot. Bonds7

About 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide

4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 142995075) has the molecular formula C24H37F2N5O3 and a molecular weight of 481.59 g/mol. Its IUPAC name is 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID142995075
Molecular FormulaC24H37F2N5O3
Molecular Weight481.59 g/mol
Exact Mass481.29
IUPAC Name4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@]1(F)CCCC(F)C1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(CNC2CCOCC2)CC1
InChIInChI=1S/C24H37F2N5O3/c1-24(26)10-2-3-18(25)20(24)22(32)30-19-14-28-31-21(19)23(33)29-17-6-4-15(5-7-17)13-27-16-8-11-34-12-9-16/h14-18,20,27H,2-13H2,1H3,(H,28,31)(H,29,33)(H,30,32)/t15?,17?,18?,20?,24-/m1/s1
InChIKeyZAJIYSQQYXWHFA-QPRJOLOYSA-N
XLogP3.27
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide (CID 142995075) is 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide is C[C@@]1(F)CCCC(F)C1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(CNC2CCOCC2)CC1.
What is the InChIKey of 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZAJIYSQQYXWHFA-QPRJOLOYSA-N. The full InChI is InChI=1S/C24H37F2N5O3/c1-24(26)10-2-3-18(25)20(24)22(32)30-19-14-28-31-21(19)23(33)29-17-6-4-15(5-7-17)13-27-16-8-11-34-12-9-16/h14-18,20,27H,2-13H2,1H3,(H,28,31)(H,29,33)(H,30,32)/t15?,17?,18?,20?,24-/m1/s1.
What are the key properties of 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide?
4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142995075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).