3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H25N7 — CID 143439959

IUPAC3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C(=C\NN)c1cnn2c(N)c(C)c(C3CCCN(C)C3)nc12
InChIInChI=1S/C16H25N7/c1-10(7-19-18)13-8-20-23-15(17)11(2)14(21-16(13)23)12-5-4-6-22(3)9-12/h7-8,12,19H,4-6,9,17-18H2,1-3H3/b10-7+
InChIKeyUTNBVMYNOLOROS-JXMROGBWSA-N
MW315.43 g/mol
LogP1.25
Rot. Bonds3

About 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143439959) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143439959
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C(=C\NN)c1cnn2c(N)c(C)c(C3CCCN(C)C3)nc12
InChIInChI=1S/C16H25N7/c1-10(7-19-18)13-8-20-23-15(17)11(2)14(21-16(13)23)12-5-4-6-22(3)9-12/h7-8,12,19H,4-6,9,17-18H2,1-3H3/b10-7+
InChIKeyUTNBVMYNOLOROS-JXMROGBWSA-N
XLogP1.25
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143439959) is 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is C/C(=C\NN)c1cnn2c(N)c(C)c(C3CCCN(C)C3)nc12.
What is the InChIKey of 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UTNBVMYNOLOROS-JXMROGBWSA-N. The full InChI is InChI=1S/C16H25N7/c1-10(7-19-18)13-8-20-23-15(17)11(2)14(21-16(13)23)12-5-4-6-22(3)9-12/h7-8,12,19H,4-6,9,17-18H2,1-3H3/b10-7+.
What are the key properties of 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-hydrazinylprop-1-en-2-yl]-6-methyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143439959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).