3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide

C19H18ClN5O — CID 167811235

IUPAC3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1CCc2nnc(Cl)cc2C1
InChIInChI=1S/C19H18ClN5O/c20-18-11-15-10-13(6-7-17(15)23-24-18)19(26)22-16-5-2-1-4-14(16)12-25-9-3-8-21-25/h1-5,8-9,11,13H,6-7,10,12H2,(H,22,26)
InChIKeyJMIVRDQBQOQMIM-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.12
Rot. Bonds4

About 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide

3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide (PubChem CID 167811235) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide
PubChem CID167811235
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1CCc2nnc(Cl)cc2C1
InChIInChI=1S/C19H18ClN5O/c20-18-11-15-10-13(6-7-17(15)23-24-18)19(26)22-16-5-2-1-4-14(16)12-25-9-3-8-21-25/h1-5,8-9,11,13H,6-7,10,12H2,(H,22,26)
InChIKeyJMIVRDQBQOQMIM-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The IUPAC name of 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide (CID 167811235) is 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide is O=C(Nc1ccccc1Cn1cccn1)C1CCc2nnc(Cl)cc2C1.
What is the InChIKey of 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The InChIKey is JMIVRDQBQOQMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-18-11-15-10-13(6-7-17(15)23-24-18)19(26)22-16-5-2-1-4-14(16)12-25-9-3-8-21-25/h1-5,8-9,11,13H,6-7,10,12H2,(H,22,26).
What are the key properties of 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(pyrazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-6-carboxamide is sourced from PubChem (CID 167811235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).