4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline

C20H17N3 — CID 70696128

IUPAC4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccnc2ccccc12
InChIInChI=1S/C20H17N3/c1-14-20(15(2)23(22-14)16-8-4-3-5-9-16)18-12-13-21-19-11-7-6-10-17(18)19/h3-13H,1-2H3
InChIKeyDHKGTCFEVVYWGO-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.70
Rot. Bonds2

About 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline (PubChem CID 70696128) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline
PubChem CID70696128
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccnc2ccccc12
InChIInChI=1S/C20H17N3/c1-14-20(15(2)23(22-14)16-8-4-3-5-9-16)18-12-13-21-19-11-7-6-10-17(18)19/h3-13H,1-2H3
InChIKeyDHKGTCFEVVYWGO-UHFFFAOYSA-N
XLogP4.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline (CID 70696128) is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline is Cc1nn(-c2ccccc2)c(C)c1-c1ccnc2ccccc12.
What is the InChIKey of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline?
The InChIKey is DHKGTCFEVVYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-20(15(2)23(22-14)16-8-4-3-5-9-16)18-12-13-21-19-11-7-6-10-17(18)19/h3-13H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline?
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline has a molecular weight of 299.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70696128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).