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

C15H23F2N3O3 — CID 129399864

IUPACN-[(2S)-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-/m1/s1
InChIKeyWHPGZRHMLGTEND-OAHLLOKOSA-N
MW331.36 g/mol
LogP2.08
Rot. Bonds6

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

N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide (PubChem CID 129399864) has the molecular formula C15H23F2N3O3 and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
PubChem CID129399864
Molecular FormulaC15H23F2N3O3
Molecular Weight331.36 g/mol
Exact Mass331.17
IUPAC NameN-[(2S)-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-/m1/s1
InChIKeyWHPGZRHMLGTEND-OAHLLOKOSA-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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Related Compounds

N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 164637464
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 121523355
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 129399865
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 132295493
N-(1-cyclohexyl-2,2-difluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 132300654
5-(difluoromethoxy)-N-[3-(2-hydroxyethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 132307956
5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 136531889
5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 136565901
N-(2-ethyl-4-hydroxybutyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579059
N-(1-hydroxy-4-methylpentan-3-yl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579062
N-(2-hydroxy-3-methylbutyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579118

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide (CID 129399864) is N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-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-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
The InChIKey is WHPGZRHMLGTEND-OAHLLOKOSA-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-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide?
N-[(2S)-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-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129399864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).