ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate

C16H22N4O2 — CID 66896915

IUPACethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Cc2cc(N)n3nccc3n2)CC1
InChIInChI=1S/C16H22N4O2/c1-2-22-16(21)12-5-3-11(4-6-12)9-13-10-14(17)20-15(19-13)7-8-18-20/h7-8,10-12H,2-6,9,17H2,1H3
InChIKeyIGMPPPGBJWGNQS-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.22
Rot. Bonds4

About ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate

ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 66896915) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
PubChem CID66896915
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nameethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Cc2cc(N)n3nccc3n2)CC1
InChIInChI=1S/C16H22N4O2/c1-2-22-16(21)12-5-3-11(4-6-12)9-13-10-14(17)20-15(19-13)7-8-18-20/h7-8,10-12H,2-6,9,17H2,1H3
InChIKeyIGMPPPGBJWGNQS-UHFFFAOYSA-N
XLogP2.22
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-propyl-N-[3-(tetrahydro-3-furanyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888664
5-propyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915145
Ethyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
CID 67494474
Ethyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
CID 70216333
2-[4-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87130682
Ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetate
CID 88216057
Ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetate
CID 88216570
Ethyl 2-[4-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexylidene]-2-fluoroacetate
CID 90741091
4-[7-Amino-3-(8-fluorocyclonona-1,6,8-trien-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 90982600
Ethyl 6-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
CID 91361255
2-[4-[7-Amino-6-bromo-3-[2-(3-methoxypropoxy)-3,4-dihydropyridin-5-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 91468951
Ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
CID 91469392

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate (CID 66896915) is ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Cc2cc(N)n3nccc3n2)CC1.
What is the InChIKey of ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is IGMPPPGBJWGNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-22-16(21)12-5-3-11(4-6-12)9-13-10-14(17)20-15(19-13)7-8-18-20/h7-8,10-12H,2-6,9,17H2,1H3.
What are the key properties of ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 66896915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).