7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H14N4O2 — CID 78426839

IUPAC7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(Oc2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H14N4O2/c1-10(2)13-15(22-12-6-4-3-5-7-12)19-14-11(8-17)9-18-20(14)16(13)21/h3-7,9-10,18H,1-2H3
InChIKeyBXNHRCQBTGKTEQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.81
Rot. Bonds3

About 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426839) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78426839
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(Oc2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H14N4O2/c1-10(2)13-15(22-12-6-4-3-5-7-12)19-14-11(8-17)9-18-20(14)16(13)21/h3-7,9-10,18H,1-2H3
InChIKeyBXNHRCQBTGKTEQ-UHFFFAOYSA-N
XLogP2.81
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-oxo-6-propan-2-yl-5-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454628
7-oxo-6-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454642
5-(3-fluoro-5-methoxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454635
5-methyl-3-(phenoxymethyl)-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273599
6-Ethyl-3-(4-methoxyphenyl)-5-methyl-4,8-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 47001487
6-(4-butoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 71053655
5-(4-methoxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78427122
5-(3-methoxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454571
7-oxo-5-(4-phenoxyphenyl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908415
5-(3-ethoxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908419
2,5-dimethyl-7-oxo-6-(2-phenoxyethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82273269
2,5-dimethyl-3-(phenoxymethyl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273409

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426839) is 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(Oc2ccccc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BXNHRCQBTGKTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10(2)13-15(22-12-6-4-3-5-7-12)19-14-11(8-17)9-18-20(14)16(13)21/h3-7,9-10,18H,1-2H3.
What are the key properties of 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-phenoxy-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).