7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine

C18H24N6 — CID 110091301

IUPAC7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCCn1cc(CN2CCC(c3ccnc4ccnn34)CC2)cn1
InChIInChI=1S/C18H24N6/c1-2-9-23-14-15(12-21-23)13-22-10-5-16(6-11-22)17-3-7-19-18-4-8-20-24(17)18/h3-4,7-8,12,14,16H,2,5-6,9-11,13H2,1H3
InChIKeyNMZBYWORIFCGKX-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.72
Rot. Bonds5

About 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine

7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 110091301) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID110091301
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCCn1cc(CN2CCC(c3ccnc4ccnn34)CC2)cn1
InChIInChI=1S/C18H24N6/c1-2-9-23-14-15(12-21-23)13-22-10-5-16(6-11-22)17-3-7-19-18-4-8-20-24(17)18/h3-4,7-8,12,14,16H,2,5-6,9-11,13H2,1H3
InChIKeyNMZBYWORIFCGKX-UHFFFAOYSA-N
XLogP2.72
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine 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 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine (CID 110091301) is 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine is CCCn1cc(CN2CCC(c3ccnc4ccnn34)CC2)cn1.
What is the InChIKey of 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is NMZBYWORIFCGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-9-23-14-15(12-21-23)13-22-10-5-16(6-11-22)17-3-7-19-18-4-8-20-24(17)18/h3-4,7-8,12,14,16H,2,5-6,9-11,13H2,1H3.
What are the key properties of 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110091301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).