N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide

C20H26F2N4O — CID 53320180

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H26F2N4O/c1-25-10-9-19(24-25)20(27)26(2)16-6-3-13(4-7-16)18(23)12-14-11-15(21)5-8-17(14)22/h5,8-11,13,16,18H,3-4,6-7,12,23H2,1-2H3/t13?,16?,18-/m1/s1
InChIKeyGKRYDWZPJSMUJG-PVCYVWKFSA-N
MW376.45 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 53320180) has the molecular formula C20H26F2N4O and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID53320180
Molecular FormulaC20H26F2N4O
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H26F2N4O/c1-25-10-9-19(24-25)20(27)26(2)16-6-3-13(4-7-16)18(23)12-14-11-15(21)5-8-17(14)22/h5,8-11,13,16,18H,3-4,6-7,12,23H2,1-2H3/t13?,16?,18-/m1/s1
InChIKeyGKRYDWZPJSMUJG-PVCYVWKFSA-N
XLogP2.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide (CID 53320180) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GKRYDWZPJSMUJG-PVCYVWKFSA-N. The full InChI is InChI=1S/C20H26F2N4O/c1-25-10-9-19(24-25)20(27)26(2)16-6-3-13(4-7-16)18(23)12-14-11-15(21)5-8-17(14)22/h5,8-11,13,16,18H,3-4,6-7,12,23H2,1-2H3/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 53320180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).