7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H23N3O — CID 136839069

IUPAC7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2CCNc3cc(C(C)C)nn32)cc1
InChIInChI=1S/C17H23N3O/c1-4-21-14-7-5-13(6-8-14)16-9-10-18-17-11-15(12(2)3)19-20(16)17/h5-8,11-12,16,18H,4,9-10H2,1-3H3
InChIKeyLSVCKFOIRNHCAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds4

About 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839069) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839069
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2CCNc3cc(C(C)C)nn32)cc1
InChIInChI=1S/C17H23N3O/c1-4-21-14-7-5-13(6-8-14)16-9-10-18-17-11-15(12(2)3)19-20(16)17/h5-8,11-12,16,18H,4,9-10H2,1-3H3
InChIKeyLSVCKFOIRNHCAH-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine
CID 23656967
N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 650985
2-[[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol
CID 652377
1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227271
4-(4-Methoxyphenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 4291554
N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308243
N-benzyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706778
N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706784
(5R)-N-[3-(4-ethoxyphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136192916
4-[[4-[(2-Ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenoxy]methyl]cyclohexan-1-amine
CID 68379164

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839069) is 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCOc1ccc(C2CCNc3cc(C(C)C)nn32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is LSVCKFOIRNHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-21-14-7-5-13(6-8-14)16-9-10-18-17-11-15(12(2)3)19-20(16)17/h5-8,11-12,16,18H,4,9-10H2,1-3H3.
What are the key properties of 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).