N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C19H30N4O — CID 26215082

IUPACN-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCN1CCc2c(c(C(=O)NC3CCCC3)nn2CC(C)C)C1
InChIInChI=1S/C19H30N4O/c1-4-10-22-11-9-17-16(13-22)18(21-23(17)12-14(2)3)19(24)20-15-7-5-6-8-15/h4,14-15H,1,5-13H2,2-3H3,(H,20,24)
InChIKeyMNGBLPHRLXJNRX-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.76
Rot. Bonds6

About N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26215082) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26215082
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCN1CCc2c(c(C(=O)NC3CCCC3)nn2CC(C)C)C1
InChIInChI=1S/C19H30N4O/c1-4-10-22-11-9-17-16(13-22)18(21-23(17)12-14(2)3)19(24)20-15-7-5-6-8-15/h4,14-15H,1,5-13H2,2-3H3,(H,20,24)
InChIKeyMNGBLPHRLXJNRX-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26215082) is N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is C=CCN1CCc2c(c(C(=O)NC3CCCC3)nn2CC(C)C)C1.
What is the InChIKey of N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MNGBLPHRLXJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-10-22-11-9-17-16(13-22)18(21-23(17)12-14(2)3)19(24)20-15-7-5-6-8-15/h4,14-15H,1,5-13H2,2-3H3,(H,20,24).
What are the key properties of N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26215082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).