4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H18N4 — CID 82699253

IUPAC4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCc1cc(CC)n(-c2ncnc3c2CCC3)n1
InChIInChI=1S/C14H18N4/c1-3-10-8-11(4-2)18(17-10)14-12-6-5-7-13(12)15-9-16-14/h8-9H,3-7H2,1-2H3
InChIKeyFGSNBKPPCDROQM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.28
Rot. Bonds3

About 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 82699253) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID82699253
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCc1cc(CC)n(-c2ncnc3c2CCC3)n1
InChIInChI=1S/C14H18N4/c1-3-10-8-11(4-2)18(17-10)14-12-6-5-7-13(12)15-9-16-14/h8-9H,3-7H2,1-2H3
InChIKeyFGSNBKPPCDROQM-UHFFFAOYSA-N
XLogP2.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-diethylpyrazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82698482
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 121185306
4-(3,5-diethylpyrazol-1-yl)-6-propylpyrimidine
CID 82700133
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
CID 82699423
5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82693965
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 62833677
4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58172317
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658060
(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95764162
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 82699253) is 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCc1cc(CC)n(-c2ncnc3c2CCC3)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FGSNBKPPCDROQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-10-8-11(4-2)18(17-10)14-12-6-5-7-13(12)15-9-16-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 242.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 82699253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).