N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

C16H23N7O — CID 126430454

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nnc2n1CCC2
InChIInChI=1S/C16H23N7O/c24-16(18-10-15-21-20-14-4-2-8-22(14)15)11-23-13(5-7-19-23)12-3-1-6-17-9-12/h5,7,12,17H,1-4,6,8-11H2,(H,18,24)/t12-/m1/s1
InChIKeyZNHCHOJRGRPLMU-GFCCVEGCSA-N
MW329.41 g/mol
LogP0.20
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126430454) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126430454
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nnc2n1CCC2
InChIInChI=1S/C16H23N7O/c24-16(18-10-15-21-20-14-4-2-8-22(14)15)11-23-13(5-7-19-23)12-3-1-6-17-9-12/h5,7,12,17H,1-4,6,8-11H2,(H,18,24)/t12-/m1/s1
InChIKeyZNHCHOJRGRPLMU-GFCCVEGCSA-N
XLogP0.20
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126439940
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428113
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 126437725
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154903889

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126430454) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is ZNHCHOJRGRPLMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N7O/c24-16(18-10-15-21-20-14-4-2-8-22(14)15)11-23-13(5-7-19-23)12-3-1-6-17-9-12/h5,7,12,17H,1-4,6,8-11H2,(H,18,24)/t12-/m1/s1.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126430454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).