benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate

C16H19N3O2 — CID 91629688

IUPACbenzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
SMILESO=C(NCc1cnn2c1CCCC2)OCc1ccccc1
InChIInChI=1S/C16H19N3O2/c20-16(21-12-13-6-2-1-3-7-13)17-10-14-11-18-19-9-5-4-8-15(14)19/h1-3,6-7,11H,4-5,8-10,12H2,(H,17,20)
InChIKeyGCEXWPKFRDLHDM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.65
Rot. Bonds4

About benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate

benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate (PubChem CID 91629688) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
PubChem CID91629688
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namebenzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
SMILESO=C(NCc1cnn2c1CCCC2)OCc1ccccc1
InChIInChI=1S/C16H19N3O2/c20-16(21-12-13-6-2-1-3-7-13)17-10-14-11-18-19-9-5-4-8-15(14)19/h1-3,6-7,11H,4-5,8-10,12H2,(H,17,20)
InChIKeyGCEXWPKFRDLHDM-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-{2H,4H,6H,7H-pyrano[4,3-c]pyrazol-2-yl}acetamide
CID 138033643
benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788680
benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134789971
Benzyl 3-propan-2-ylpyrazole-1-carboxylate
CID 101799082
N-[(2S*,4R*,6S*)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50980452
benzyl N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]carbamate
CID 71858072
benzyl (3R)-3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 97929599
4-allyl-4-(benzyloxy)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 119063879
[2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-phenylethyl] N-methylcarbamate
CID 15604972
benzyl 2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
CID 66523230
[2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-phenylethyl] N-methylcarbamate
CID 66919558
[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-phenylethyl] N-methylcarbamate
CID 66919559

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
The IUPAC name of benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate (CID 91629688) is benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
The canonical SMILES for benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate is O=C(NCc1cnn2c1CCCC2)OCc1ccccc1.
What is the InChIKey of benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
The InChIKey is GCEXWPKFRDLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21-12-13-6-2-1-3-7-13)17-10-14-11-18-19-9-5-4-8-15(14)19/h1-3,6-7,11H,4-5,8-10,12H2,(H,17,20).
What are the key properties of benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate has a molecular weight of 285.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 91629688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).