pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C7H4N4 — CID 819275

IUPACpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cccnc12
InChIInChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
InChIKeyRRHORVAOECWFPT-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.60
Rot. Bonds

About pyrazolo[1,5-a]pyrimidine-3-carbonitrile

pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 819275) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID819275
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Namepyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cccnc12
InChIInChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
InChIKeyRRHORVAOECWFPT-UHFFFAOYSA-N
XLogP0.60
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromobut-1-ynyl)pyrazolo[1,5-a]pyrimidine
CID 170466242
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 165459430
3-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 122400853
CID 170568234
CID 170568234
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
CID 141120800
4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 59811854
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2229662
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 84660602
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 69058450

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 819275) is pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cccnc12.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RRHORVAOECWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H.
What are the key properties of pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 144.14 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 819275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).