phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate

C20H16N4O2 — CID 135223450

IUPACphenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate
SMILESCn1nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)c2cnccc21
InChIInChI=1S/C20H16N4O2/c1-24-18-11-12-21-13-17(18)19(23-24)14-7-9-15(10-8-14)22-20(25)26-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)
InChIKeyYCZNLNBEAIKNIS-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.25
Rot. Bonds3

About phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate

phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate (PubChem CID 135223450) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate
PubChem CID135223450
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Namephenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate
SMILESCn1nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)c2cnccc21
InChIInChI=1S/C20H16N4O2/c1-24-18-11-12-21-13-17(18)19(23-24)14-7-9-15(10-8-14)22-20(25)26-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)
InChIKeyYCZNLNBEAIKNIS-UHFFFAOYSA-N
XLogP4.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate (CID 135223450) is phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate is Cn1nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)c2cnccc21.
What is the InChIKey of phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate?
The InChIKey is YCZNLNBEAIKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-18-11-12-21-13-17(18)19(23-24)14-7-9-15(10-8-14)22-20(25)26-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25).
What are the key properties of phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate?
phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate has a molecular weight of 344.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(1-methylpyrazolo[4,3-c]pyridin-3-yl)phenyl]carbamate is sourced from PubChem (CID 135223450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).