7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H10N4O2 — CID 135635616

IUPAC7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2ccnc3c(C#N)cnn23)c(O)c1
InChIInChI=1S/C14H10N4O2/c1-20-10-2-3-11(13(19)6-10)12-4-5-16-14-9(7-15)8-17-18(12)14/h2-6,8,19H,1H3
InChIKeySJCUKJFQPCRXJL-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.98
Rot. Bonds2

About 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 135635616) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID135635616
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2ccnc3c(C#N)cnn23)c(O)c1
InChIInChI=1S/C14H10N4O2/c1-20-10-2-3-11(13(19)6-10)12-4-5-16-14-9(7-15)8-17-18(12)14/h2-6,8,19H,1H3
InChIKeySJCUKJFQPCRXJL-UHFFFAOYSA-N
XLogP1.98
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136866386
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4774562
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 84660602
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 165459430
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
5-methoxy-2-pyrimidin-2-ylbenzonitrile
CID 121010677
5-methoxy-2-[2-(3-methoxyphenyl)pyrazol-3-yl]phenol
CID 135520262
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
CID 135634342
7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride
CID 175863783
2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
CID 70343483

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 135635616) is 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(-c2ccnc3c(C#N)cnn23)c(O)c1.
What is the InChIKey of 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SJCUKJFQPCRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-20-10-2-3-11(13(19)6-10)12-4-5-16-14-9(7-15)8-17-18(12)14/h2-6,8,19H,1H3.
What are the key properties of 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 135635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).