2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F3N6O3 — CID 175831856

IUPAC2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2cn(C3CCC(CO)CC3)nc2OC(F)(F)F)nn2cccnc12
InChIInChI=1S/C18H19F3N6O3/c19-18(20,21)30-17-12(8-27(25-17)11-4-2-10(9-28)3-5-11)14-13(15(22)29)16-23-6-1-7-26(16)24-14/h1,6-8,10-11,28H,2-5,9H2,(H2,22,29)
InChIKeyAIXDRZPTHFHECB-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.31
Rot. Bonds5

About 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175831856) has the molecular formula C18H19F3N6O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID175831856
Molecular FormulaC18H19F3N6O3
Molecular Weight424.38 g/mol
Exact Mass424.15
IUPAC Name2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2cn(C3CCC(CO)CC3)nc2OC(F)(F)F)nn2cccnc12
InChIInChI=1S/C18H19F3N6O3/c19-18(20,21)30-17-12(8-27(25-17)11-4-2-10(9-28)3-5-11)14-13(15(22)29)16-23-6-1-7-26(16)24-14/h1,6-8,10-11,28H,2-5,9H2,(H2,22,29)
InChIKeyAIXDRZPTHFHECB-UHFFFAOYSA-N
XLogP2.31
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(difluoromethoxy)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 166694232
2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175816376
2-[(2R)-2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140929451
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175710239
2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844584
2-[(2S)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140648224
N-[3-(difluoromethyl)-1-[4-(2-piperidin-4-ylethoxymethyl)cyclohexyl]pyrazol-4-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167439840
2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168858981
2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175860357
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522572

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175831856) is 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(-c2cn(C3CCC(CO)CC3)nc2OC(F)(F)F)nn2cccnc12.
What is the InChIKey of 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AIXDRZPTHFHECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O3/c19-18(20,21)30-17-12(8-27(25-17)11-4-2-10(9-28)3-5-11)14-13(15(22)29)16-23-6-1-7-26(16)24-14/h1,6-8,10-11,28H,2-5,9H2,(H2,22,29).
What are the key properties of 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175831856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).