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

C16H18N6O2 — CID 175816376

IUPAC2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(-c2nn3cccnc3c2C(N)=O)c(C2(O)CCCC2)n1
InChIInChI=1S/C16H18N6O2/c1-21-9-10(13(20-21)16(24)5-2-3-6-16)12-11(14(17)23)15-18-7-4-8-22(15)19-12/h4,7-9,24H,2-3,5-6H2,1H3,(H2,17,23)
InChIKeySSOGXYHPTJXAPQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.99
Rot. Bonds3

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

2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175816376) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID175816376
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(-c2nn3cccnc3c2C(N)=O)c(C2(O)CCCC2)n1
InChIInChI=1S/C16H18N6O2/c1-21-9-10(13(20-21)16(24)5-2-3-6-16)12-11(14(17)23)15-18-7-4-8-22(15)19-12/h4,7-9,24H,2-3,5-6H2,1H3,(H2,17,23)
InChIKeySSOGXYHPTJXAPQ-UHFFFAOYSA-N
XLogP0.99
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-carbamoyl-1-methylpyrazol-4-yl)-(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844559
2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175710239
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
2-[1-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175831856
2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175860357
2-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596251
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-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
2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844584
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-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175816376) is 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(-c2nn3cccnc3c2C(N)=O)c(C2(O)CCCC2)n1.
What is the InChIKey of 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SSOGXYHPTJXAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21-9-10(13(20-21)16(24)5-2-3-6-16)12-11(14(17)23)15-18-7-4-8-22(15)19-12/h4,7-9,24H,2-3,5-6H2,1H3,(H2,17,23).
What are the key properties of 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxycyclopentyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175816376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).