3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine

C18H21N7 — CID 53316780

IUPAC3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC#Cc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C18H21N7/c1-3-5-14-16(12-6-4-7-20-8-12)23-18-15(10-22-25(18)17(14)19)13-9-21-24(2)11-13/h9-12,20H,4,6-8,19H2,1-2H3
InChIKeyUSJSFMYGTKDXFG-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.55
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53316780) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53316780
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC#Cc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C18H21N7/c1-3-5-14-16(12-6-4-7-20-8-12)23-18-15(10-22-25(18)17(14)19)13-9-21-24(2)11-13/h9-12,20H,4,6-8,19H2,1-2H3
InChIKeyUSJSFMYGTKDXFG-UHFFFAOYSA-N
XLogP1.55
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53316780) is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine is CC#Cc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is USJSFMYGTKDXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-3-5-14-16(12-6-4-7-20-8-12)23-18-15(10-22-25(18)17(14)19)13-9-21-24(2)11-13/h9-12,20H,4,6-8,19H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.42 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53316780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).