5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H19N7 — CID 144917484

IUPAC5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C1C(C(C)C)=C(c2cnn(CCN)c2)Nc2c(C#N)cnn21
InChIInChI=1S/C16H19N7/c1-10(2)14-11(3)23-16(12(6-18)7-20-23)21-15(14)13-8-19-22(9-13)5-4-17/h7-10,21H,3-5,17H2,1-2H3
InChIKeyRPKGWFHBMPTFCF-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.87
Rot. Bonds4

About 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 144917484) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID144917484
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C1C(C(C)C)=C(c2cnn(CCN)c2)Nc2c(C#N)cnn21
InChIInChI=1S/C16H19N7/c1-10(2)14-11(3)23-16(12(6-18)7-20-23)21-15(14)13-8-19-22(9-13)5-4-17/h7-10,21H,3-5,17H2,1-2H3
InChIKeyRPKGWFHBMPTFCF-UHFFFAOYSA-N
XLogP1.87
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 144917454
(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine
CID 155445696

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 144917484) is 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is C=C1C(C(C)C)=C(c2cnn(CCN)c2)Nc2c(C#N)cnn21.
What is the InChIKey of 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RPKGWFHBMPTFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-10(2)14-11(3)23-16(12(6-18)7-20-23)21-15(14)13-8-19-22(9-13)5-4-17/h7-10,21H,3-5,17H2,1-2H3.
What are the key properties of 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 309.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 144917484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).