3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide

C17H22N4O2 — CID 82588181

IUPAC3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide
SMILESCOc1ccccc1Cc1nn(CCC(N)=O)c2c1CNCC2
InChIInChI=1S/C17H22N4O2/c1-23-16-5-3-2-4-12(16)10-14-13-11-19-8-6-15(13)21(20-14)9-7-17(18)22/h2-5,19H,6-11H2,1H3,(H2,18,22)
InChIKeyKTFVSXCPZSIVQU-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.00
Rot. Bonds6

About 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide

3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide (PubChem CID 82588181) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide
PubChem CID82588181
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide
SMILESCOc1ccccc1Cc1nn(CCC(N)=O)c2c1CNCC2
InChIInChI=1S/C17H22N4O2/c1-23-16-5-3-2-4-12(16)10-14-13-11-19-8-6-15(13)21(20-14)9-7-17(18)22/h2-5,19H,6-11H2,1H3,(H2,18,22)
InChIKeyKTFVSXCPZSIVQU-UHFFFAOYSA-N
XLogP1.00
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanoate
CID 110459120
3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propanamide
CID 82587369
3-[3-[(1,1-dioxothiolan-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide
CID 82588312
2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535636
1-(2-ethylphenyl)-3-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3984726
3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587621
3-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146380303
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
1-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3258063
2-[4-(3-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)phenyl]acetic acid
CID 110459050
3-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propanamide
CID 64853982
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide?
The IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide (CID 82588181) is 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide?
The canonical SMILES for 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide is COc1ccccc1Cc1nn(CCC(N)=O)c2c1CNCC2.
What is the InChIKey of 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide?
The InChIKey is KTFVSXCPZSIVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-16-5-3-2-4-12(16)10-14-13-11-19-8-6-15(13)21(20-14)9-7-17(18)22/h2-5,19H,6-11H2,1H3,(H2,18,22).
What are the key properties of 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide?
3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide is sourced from PubChem (CID 82588181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).