N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol

C18H22F2N6O3 — CID 156823602

IUPACN-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
SMILESCO.O=C(Nc1cn(C2CCCCC2)nc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C17H18F2N6O2.CH4O/c18-17(19)27-16-13(10-25(23-16)11-5-2-1-3-6-11)22-15(26)12-9-21-24-8-4-7-20-14(12)24;1-2/h4,7-11,17H,1-3,5-6H2,(H,22,26);2H,1H3
InChIKeyQSRKDCWEFLXFJH-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.89
Rot. Bonds5

About N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol

N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol (PubChem CID 156823602) has the molecular formula C18H22F2N6O3 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
PubChem CID156823602
Molecular FormulaC18H22F2N6O3
Molecular Weight408.41 g/mol
Exact Mass408.17
IUPAC NameN-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
SMILESCO.O=C(Nc1cn(C2CCCCC2)nc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C17H18F2N6O2.CH4O/c18-17(19)27-16-13(10-25(23-16)11-5-2-1-3-6-11)22-15(26)12-9-21-24-8-4-7-20-14(12)24;1-2/h4,7-11,17H,1-3,5-6H2,(H,22,26);2H,1H3
InChIKeyQSRKDCWEFLXFJH-UHFFFAOYSA-N
XLogP2.89
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 146599059
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N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[6-(cyclopropylmethoxy)-2-(4-formylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157113206
N-[3-[2-(difluoromethoxy)-5-[3-(3-hydroxy-1-methylazetidin-3-yl)phenoxy]phenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142622294
N-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142622298
N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane
CID 142622308
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164729839

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol?
The IUPAC name of N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol (CID 156823602) is N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol.
What is the SMILES notation for N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol?
The canonical SMILES for N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol is CO.O=C(Nc1cn(C2CCCCC2)nc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol?
The InChIKey is QSRKDCWEFLXFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O2.CH4O/c18-17(19)27-16-13(10-25(23-16)11-5-2-1-3-6-11)22-15(26)12-9-21-24-8-4-7-20-14(12)24;1-2/h4,7-11,17H,1-3,5-6H2,(H,22,26);2H,1H3.
What are the key properties of N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol?
N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol has a molecular weight of 408.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol is sourced from PubChem (CID 156823602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).