(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one

C14H21N3O2 — CID 126440091

IUPAC(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one
SMILESCCO[C@@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C14H21N3O2/c1-3-19-9(2)14(18)17-7-6-12-11(8-17)13(16-15-12)10-4-5-10/h9-10H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyDMAAHINUHCTCBK-VIFPVBQESA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds4

About (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one

(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one (PubChem CID 126440091) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one
PubChem CID126440091
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one
SMILESCCO[C@@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C14H21N3O2/c1-3-19-9(2)14(18)17-7-6-12-11(8-17)13(16-15-12)10-4-5-10/h9-10H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyDMAAHINUHCTCBK-VIFPVBQESA-N
XLogP1.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 29256033
5-{2-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-3-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 129624002
Sdccgsbi-0114447.P001
CID 45229566
2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 72121234
(2S)-2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104400
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104401
(2S)-2-(cyclopropylmethoxy)-1-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104402
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104403
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-3-piperidinecarboxamide
CID 45200150
5-(3-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 45245858
1-(3-Cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 89583833
3-Methyl-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)butan-1-one
CID 117607493

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one?
The IUPAC name of (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one (CID 126440091) is (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one.
What is the SMILES notation for (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one?
The canonical SMILES for (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one is CCO[C@@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one?
The InChIKey is DMAAHINUHCTCBK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-9(2)14(18)17-7-6-12-11(8-17)13(16-15-12)10-4-5-10/h9-10H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one?
(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one is sourced from PubChem (CID 126440091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).