N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H20N8O — CID 138727003

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C16H20N8O/c1-11-13(10-22(2)21-11)19-16(25)12-9-18-24-6-3-14(20-15(12)24)23-7-4-17-5-8-23/h3,6,9-10,17H,4-5,7-8H2,1-2H3,(H,19,25)
InChIKeyVDCYGVCONIRANY-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.43
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 138727003) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID138727003
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C16H20N8O/c1-11-13(10-22(2)21-11)19-16(25)12-9-18-24-6-3-14(20-15(12)24)23-7-4-17-5-8-23/h3,6,9-10,17H,4-5,7-8H2,1-2H3,(H,19,25)
InChIKeyVDCYGVCONIRANY-UHFFFAOYSA-N
XLogP0.43
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 138727003) is N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)cc1NC(=O)c1cnn2ccc(N3CCNCC3)nc12.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VDCYGVCONIRANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-11-13(10-22(2)21-11)19-16(25)12-9-18-24-6-3-14(20-15(12)24)23-7-4-17-5-8-23/h3,6,9-10,17H,4-5,7-8H2,1-2H3,(H,19,25).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 138727003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).