3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one

C10H14N4O — CID 137095242

IUPAC3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESCCCCc1c[nH]c(=O)c2c(N)n[nH]c12
InChIInChI=1S/C10H14N4O/c1-2-3-4-6-5-12-10(15)7-8(6)13-14-9(7)11/h5H,2-4H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyIMBSHFKCBDJAPE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.18
Rot. Bonds3

About 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one

3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one (PubChem CID 137095242) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
PubChem CID137095242
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESCCCCc1c[nH]c(=O)c2c(N)n[nH]c12
InChIInChI=1S/C10H14N4O/c1-2-3-4-6-5-12-10(15)7-8(6)13-14-9(7)11/h5H,2-4H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyIMBSHFKCBDJAPE-UHFFFAOYSA-N
XLogP1.18
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one (CID 137095242) is 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one is CCCCc1c[nH]c(=O)c2c(N)n[nH]c12.
What is the InChIKey of 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
The InChIKey is IMBSHFKCBDJAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-3-4-6-5-12-10(15)7-8(6)13-14-9(7)11/h5H,2-4H2,1H3,(H,12,15)(H3,11,13,14).
What are the key properties of 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 137095242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).