2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline

C19H15ClN4O2 — CID 10915547

IUPAC2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
SMILESCc1ccc2cc(C3CC(c4cccc([N+](=O)[O-])c4)=NN3)c(Cl)nc2c1
InChIInChI=1S/C19H15ClN4O2/c1-11-5-6-13-9-15(19(20)21-16(13)7-11)18-10-17(22-23-18)12-3-2-4-14(8-12)24(25)26/h2-9,18,23H,10H2,1H3
InChIKeyWIVFGMOJHUDAAP-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline

2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline (PubChem CID 10915547) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline.

Molecular Properties

Compound Name2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
PubChem CID10915547
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
SMILESCc1ccc2cc(C3CC(c4cccc([N+](=O)[O-])c4)=NN3)c(Cl)nc2c1
InChIInChI=1S/C19H15ClN4O2/c1-11-5-6-13-9-15(19(20)21-16(13)7-11)18-10-17(22-23-18)12-3-2-4-14(8-12)24(25)26/h2-9,18,23H,10H2,1H3
InChIKeyWIVFGMOJHUDAAP-UHFFFAOYSA-N
XLogP4.54
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 10520620
6-methyl-2-(3-nitrophenyl)quinoline;morpholine
CID 174706704
[3-(2-chloroquinolin-3-yl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 171348084
2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
CID 793009
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one
CID 3095071
1-methyl-3-nitrobenzene
CID 7422
1-methyl-3-nitrobenzene chloride
CID 20509973
azane;1-methyl-3-nitrobenzene
CID 174504430
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide
CID 38767727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline?
The IUPAC name of 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline (CID 10915547) is 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline.
What is the SMILES notation for 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline?
The canonical SMILES for 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline is Cc1ccc2cc(C3CC(c4cccc([N+](=O)[O-])c4)=NN3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline?
The InChIKey is WIVFGMOJHUDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-5-6-13-9-15(19(20)21-16(13)7-11)18-10-17(22-23-18)12-3-2-4-14(8-12)24(25)26/h2-9,18,23H,10H2,1H3.
What are the key properties of 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline?
2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline has a molecular weight of 366.81 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline is sourced from PubChem (CID 10915547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).