7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C7H4N4O — CID 14950775

IUPAC7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C7H4N4O/c8-3-5-4-10-11-6(12)1-2-9-7(5)11/h1-2,4,10H
InChIKeyDQMFWVDDYHMRGL-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.11
Rot. Bonds

About 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 14950775) has the molecular formula C7H4N4O and a molecular weight of 160.14 g/mol. Its IUPAC name is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID14950775
Molecular FormulaC7H4N4O
Molecular Weight160.14 g/mol
Exact Mass160.04
IUPAC Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C7H4N4O/c8-3-5-4-10-11-6(12)1-2-9-7(5)11/h1-2,4,10H
InChIKeyDQMFWVDDYHMRGL-UHFFFAOYSA-N
XLogP-0.11
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2819027
Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-Aminopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 13396556
5-Amino-3-methylpyrazolo[2,3-a]pyrimidin-7(1h)-one
CID 129800163
7-Hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130615800
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 133060218
3-Methylpyrazolo[1,5-a]pyrimidin-7(1H)-one
CID 20621571
5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 91666098
5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137450042
6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 10330502
7-Hydroxypyrazolo[1,5-A]pyrimidine-6-carbonitrile
CID 10997327
4,7-Dihydro-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 12380099

Frequently Asked Questions

What is the IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 14950775) is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c[nH]n2c(=O)ccnc12.
What is the InChIKey of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DQMFWVDDYHMRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O/c8-3-5-4-10-11-6(12)1-2-9-7(5)11/h1-2,4,10H.
What are the key properties of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 14950775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).