ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate

C16H19N3O2 — CID 102228953

IUPACethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)15-10-14-8-9-18(12-19(14)17-15)11-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKeyGBBFUEFTKYPZEJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.08
Rot. Bonds4

About ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate

ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate (PubChem CID 102228953) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate
PubChem CID102228953
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)15-10-14-8-9-18(12-19(14)17-15)11-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKeyGBBFUEFTKYPZEJ-UHFFFAOYSA-N
XLogP2.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide
CID 71768476
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460
ethyl 1-benzyl-5-(3,4-difluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylate
CID 59438150
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 1-benzyl-4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691446
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 142648033
ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691472
ethyl 1-benzyl-5-methyl-2,3-dihydropyrrole-4-carboxylate
CID 15193205
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 10707422

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate (CID 102228953) is ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate is CCOC(=O)c1cc2n(n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate?
The InChIKey is GBBFUEFTKYPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-16(20)15-10-14-8-9-18(12-19(14)17-15)11-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3.
What are the key properties of ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate?
ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 102228953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).