7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C13H14N6O — CID 168659836

IUPAC7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cc2ncc(C#N)c(N3CC(CN)CC3=O)n2n1
InChIInChI=1S/C13H14N6O/c1-8-2-11-16-6-10(5-15)13(19(11)17-8)18-7-9(4-14)3-12(18)20/h2,6,9H,3-4,7,14H2,1H3
InChIKeyOXDNGQSESVPYJB-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.22
Rot. Bonds2

About 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 168659836) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID168659836
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cc2ncc(C#N)c(N3CC(CN)CC3=O)n2n1
InChIInChI=1S/C13H14N6O/c1-8-2-11-16-6-10(5-15)13(19(11)17-8)18-7-9(4-14)3-12(18)20/h2,6,9H,3-4,7,14H2,1H3
InChIKeyOXDNGQSESVPYJB-UHFFFAOYSA-N
XLogP0.22
TPSA100.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 168684799
4-(aminomethyl)-1-(2-cyclopentyl-5-methylpyrazol-3-yl)pyrrolidin-2-one
CID 168660077
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 168660605
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzonitrile
CID 168660667
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methylthiophene-3-carbonitrile
CID 168507918
4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
[1-(5-cyano-2-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676055
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-pyrrolidin-1-ylbenzonitrile
CID 168660647
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168659758
4-amino-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 168671812

Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 168659836) is 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1cc2ncc(C#N)c(N3CC(CN)CC3=O)n2n1.
What is the InChIKey of 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is OXDNGQSESVPYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-2-11-16-6-10(5-15)13(19(11)17-8)18-7-9(4-14)3-12(18)20/h2,6,9H,3-4,7,14H2,1H3.
What are the key properties of 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 168659836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).