5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

C18H23ClN6O2 — CID 171687408

IUPAC5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1cc(C)n(CC(=O)N2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)n1.Cl
InChIInChI=1S/C18H22N6O2.ClH/c1-12-9-13(2)23(21-12)11-18(26)22-7-4-14(5-8-22)15-10-17(25)24-16(20-15)3-6-19-24;/h3,6,9-10,14,19H,4-5,7-8,11H2,1-2H3;1H
InChIKeyAVVQSUIORMSMSL-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.66
Rot. Bonds3

About 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 171687408) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID171687408
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1cc(C)n(CC(=O)N2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)n1.Cl
InChIInChI=1S/C18H22N6O2.ClH/c1-12-9-13(2)23(21-12)11-18(26)22-7-4-14(5-8-22)15-10-17(25)24-16(20-15)3-6-19-24;/h3,6,9-10,14,19H,4-5,7-8,11H2,1-2H3;1H
InChIKeyAVVQSUIORMSMSL-UHFFFAOYSA-N
XLogP1.66
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride 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 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 171687408) is 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cc1cc(C)n(CC(=O)N2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)n1.Cl.
What is the InChIKey of 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is AVVQSUIORMSMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2.ClH/c1-12-9-13(2)23(21-12)11-18(26)22-7-4-14(5-8-22)15-10-17(25)24-16(20-15)3-6-19-24;/h3,6,9-10,14,19H,4-5,7-8,11H2,1-2H3;1H.
What are the key properties of 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 171687408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).