2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N8O3 — CID 140844559

IUPAC2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(N(c2nn3cccnc3c2C(N)=O)C2CCCCC2O)c(C(N)=O)n1
InChIInChI=1S/C18H22N8O3/c1-24-9-11(14(22-24)16(20)29)26(10-5-2-3-6-12(10)27)18-13(15(19)28)17-21-7-4-8-25(17)23-18/h4,7-10,12,27H,2-3,5-6H2,1H3,(H2,19,28)(H2,20,29)
InChIKeyCZBGPVYPGYCJHY-UHFFFAOYSA-N
MW398.43 g/mol
LogP0.10
Rot. Bonds5

About 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140844559) has the molecular formula C18H22N8O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140844559
Molecular FormulaC18H22N8O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(N(c2nn3cccnc3c2C(N)=O)C2CCCCC2O)c(C(N)=O)n1
InChIInChI=1S/C18H22N8O3/c1-24-9-11(14(22-24)16(20)29)26(10-5-2-3-6-12(10)27)18-13(15(19)28)17-21-7-4-8-25(17)23-18/h4,7-10,12,27H,2-3,5-6H2,1H3,(H2,19,28)(H2,20,29)
InChIKeyCZBGPVYPGYCJHY-UHFFFAOYSA-N
XLogP0.10
TPSA157.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175816376
N-[(2-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111471418
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
2-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596251
2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844584
(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 122516643
2-[(2S)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140648224
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140844559) is 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(N(c2nn3cccnc3c2C(N)=O)C2CCCCC2O)c(C(N)=O)n1.
What is the InChIKey of 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CZBGPVYPGYCJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3/c1-24-9-11(14(22-24)16(20)29)26(10-5-2-3-6-12(10)27)18-13(15(19)28)17-21-7-4-8-25(17)23-18/h4,7-10,12,27H,2-3,5-6H2,1H3,(H2,19,28)(H2,20,29).
What are the key properties of 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140844559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).