[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate

C16H17N3O3 — CID 124759602

IUPAC[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N[C@H]2CCn3nccc3C2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(20)22-15-4-2-12(3-5-15)16(21)18-13-7-9-19-14(10-13)6-8-17-19/h2-6,8,13H,7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyGYUNOESWUNHQCT-ZDUSSCGKSA-N
MW299.33 g/mol
LogP1.55
Rot. Bonds3

About [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate

[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate (PubChem CID 124759602) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate
PubChem CID124759602
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N[C@H]2CCn3nccc3C2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(20)22-15-4-2-12(3-5-15)16(21)18-13-7-9-19-14(10-13)6-8-17-19/h2-6,8,13H,7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyGYUNOESWUNHQCT-ZDUSSCGKSA-N
XLogP1.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
CID 124725421
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101493
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124891885
2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101471
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
2-cyclopropyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892890
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
2-pyrazol-1-yl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 129355323
2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892185
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 121018766
4-ethoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532976
2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 119101484

Frequently Asked Questions

What is the IUPAC name of [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate (CID 124759602) is [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)N[C@H]2CCn3nccc3C2)cc1.
What is the InChIKey of [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate?
The InChIKey is GYUNOESWUNHQCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(20)22-15-4-2-12(3-5-15)16(21)18-13-7-9-19-14(10-13)6-8-17-19/h2-6,8,13H,7,9-10H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate?
[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate has a molecular weight of 299.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 124759602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).