5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine

C15H19N5 — CID 143891168

IUPAC5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine
SMILESCC#Cc1cnn2c1N=C(C1CCCNC1)C=CC2N
InChIInChI=1S/C15H19N5/c1-2-4-12-10-18-20-14(16)7-6-13(19-15(12)20)11-5-3-8-17-9-11/h6-7,10-11,14,17H,3,5,8-9,16H2,1H3
InChIKeyMTSRMSXDPVTVJZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.35
Rot. Bonds1

About 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine

5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine (PubChem CID 143891168) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine.

Molecular Properties

Compound Name5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine
PubChem CID143891168
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine
SMILESCC#Cc1cnn2c1N=C(C1CCCNC1)C=CC2N
InChIInChI=1S/C15H19N5/c1-2-4-12-10-18-20-14(16)7-6-13(19-15(12)20)11-5-3-8-17-9-11/h6-7,10-11,14,17H,3,5,8-9,16H2,1H3
InChIKeyMTSRMSXDPVTVJZ-UHFFFAOYSA-N
XLogP1.35
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine with MolForge

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Related Compounds

6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine
CID 145343959
ethane;N-hexyl-5-pentan-3-yl-5,8-dihydro-4H-pyrazolo[1,5-a][1,3]diazepin-8-amine
CID 168900366
N-hexyl-5-pentan-3-yl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine
CID 169863258
N-hexyl-5-pentan-3-yl-5,8-dihydro-4H-pyrazolo[1,5-a][1,3]diazepin-8-amine
CID 168900367

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine?
The IUPAC name of 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine (CID 143891168) is 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine.
What is the SMILES notation for 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine?
The canonical SMILES for 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine is CC#Cc1cnn2c1N=C(C1CCCNC1)C=CC2N.
What is the InChIKey of 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine?
The InChIKey is MTSRMSXDPVTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-4-12-10-18-20-14(16)7-6-13(19-15(12)20)11-5-3-8-17-9-11/h6-7,10-11,14,17H,3,5,8-9,16H2,1H3.
What are the key properties of 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine?
5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine has a molecular weight of 269.35 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-3-prop-1-ynyl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine is sourced from PubChem (CID 143891168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).