N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide

C15H23F2N3O3 — CID 129399865

IUPACN-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1OC(F)F
InChIInChI=1S/C15H23F2N3O3/c1-15(9-21,10-6-4-3-5-7-10)18-13(22)11-8-12(20(2)19-11)23-14(16)17/h8,10,14,21H,3-7,9H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyWHPGZRHMLGTEND-HNNXBMFYSA-N
MW331.36 g/mol
LogP2.08
Rot. Bonds6

About N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide

N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide (PubChem CID 129399865) has the molecular formula C15H23F2N3O3 and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
PubChem CID129399865
Molecular FormulaC15H23F2N3O3
Molecular Weight331.36 g/mol
Exact Mass331.17
IUPAC NameN-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1OC(F)F
InChIInChI=1S/C15H23F2N3O3/c1-15(9-21,10-6-4-3-5-7-10)18-13(22)11-8-12(20(2)19-11)23-14(16)17/h8,10,14,21H,3-7,9H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyWHPGZRHMLGTEND-HNNXBMFYSA-N
XLogP2.08
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide (CID 129399865) is N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1OC(F)F.
What is the InChIKey of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
The InChIKey is WHPGZRHMLGTEND-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23F2N3O3/c1-15(9-21,10-6-4-3-5-7-10)18-13(22)11-8-12(20(2)19-11)23-14(16)17/h8,10,14,21H,3-7,9H2,1-2H3,(H,18,22)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129399865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).