7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C13H15N5O2S — CID 164570645

IUPAC7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(S(C)(=O)=O)nc2c1CC1CC1
InChIInChI=1S/C13H15N5O2S/c1-7-9(5-8-3-4-8)12-16-13(21(2,19)20)10(6-14)11(15)18(12)17-7/h8H,3-5,15H2,1-2H3
InChIKeyMLGXOXKZGPRULV-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.85
Rot. Bonds3

About 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570645) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570645
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(S(C)(=O)=O)nc2c1CC1CC1
InChIInChI=1S/C13H15N5O2S/c1-7-9(5-8-3-4-8)12-16-13(21(2,19)20)10(6-14)11(15)18(12)17-7/h8H,3-5,15H2,1-2H3
InChIKeyMLGXOXKZGPRULV-UHFFFAOYSA-N
XLogP0.85
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570645) is 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nn2c(N)c(C#N)c(S(C)(=O)=O)nc2c1CC1CC1.
What is the InChIKey of 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is MLGXOXKZGPRULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-7-9(5-8-3-4-8)12-16-13(21(2,19)20)10(6-14)11(15)18(12)17-7/h8H,3-5,15H2,1-2H3.
What are the key properties of 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 305.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).