2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

C8H14N4O — CID 105440128

IUPAC2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESNCCn1[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C8H14N4O/c9-2-4-12-8(13)6-5-10-3-1-7(6)11-12/h10-11H,1-5,9H2
InChIKeyNZNJCJKCJAPMCZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.22
Rot. Bonds2

About 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 105440128) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID105440128
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESNCCn1[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C8H14N4O/c9-2-4-12-8(13)6-5-10-3-1-7(6)11-12/h10-11H,1-5,9H2
InChIKeyNZNJCJKCJAPMCZ-UHFFFAOYSA-N
XLogP-1.22
TPSA75.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 105433473
2-(2-aminoethyl)-1,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazol-3-one
CID 105452286
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105498032
2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
CID 141302977
2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 105429910
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105496819
2-methyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 82413792
1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
CID 71755460
3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 146614384
2-(3-oxo-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl)acetic acid
CID 66023180
2-(3-phenylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66021724
2-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020860

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 105440128) is 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is NCCn1[nH]c2c(c1=O)CNCC2.
What is the InChIKey of 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is NZNJCJKCJAPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-2-4-12-8(13)6-5-10-3-1-7(6)11-12/h10-11H,1-5,9H2.
What are the key properties of 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 182.23 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 105440128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).