2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone

C13H20N4O — CID 65355991

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
SMILESCn1cc(N)c(C(=O)N2CCCC3CCCC32)n1
InChIInChI=1S/C13H20N4O/c1-16-8-10(14)12(15-16)13(18)17-7-3-5-9-4-2-6-11(9)17/h8-9,11H,2-7,14H2,1H3
InChIKeyHZVPSRXLVHKARY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds1

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone (PubChem CID 65355991) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
PubChem CID65355991
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
SMILESCn1cc(N)c(C(=O)N2CCCC3CCCC32)n1
InChIInChI=1S/C13H20N4O/c1-16-8-10(14)12(15-16)13(18)17-7-3-5-9-4-2-6-11(9)17/h8-9,11H,2-7,14H2,1H3
InChIKeyHZVPSRXLVHKARY-UHFFFAOYSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-amino-1-methylpyrazol-3-yl)methanone
CID 65354072
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 65354173
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66123826
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209806
(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211043
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone (CID 65355991) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone is Cn1cc(N)c(C(=O)N2CCCC3CCCC32)n1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone?
The InChIKey is HZVPSRXLVHKARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-8-10(14)12(15-16)13(18)17-7-3-5-9-4-2-6-11(9)17/h8-9,11H,2-7,14H2,1H3.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 65355991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).