[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C15H24N4O — CID 97461851

IUPAC[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C15H24N4O/c1-11(2)9-18-8-5-13-12(10-18)14(17-16-13)15(20)19-6-3-4-7-19/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyNPNRMECJTPKGAH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.66
Rot. Bonds3

About [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97461851) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97461851
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C15H24N4O/c1-11(2)9-18-8-5-13-12(10-18)14(17-16-13)15(20)19-6-3-4-7-19/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyNPNRMECJTPKGAH-UHFFFAOYSA-N
XLogP1.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 97461851) is [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)CN1CCc2[nH]nc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NPNRMECJTPKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)9-18-8-5-13-12(10-18)14(17-16-13)15(20)19-6-3-4-7-19/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97461851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).