carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine

C16H20ClN3O2 — CID 158439688

IUPACcarbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
SMILESCCc1nn(CC)c(-c2cnccc2C(C)C)c1Cl.O=C=O
InChIInChI=1S/C15H20ClN3.CO2/c1-5-13-14(16)15(19(6-2)18-13)12-9-17-8-7-11(12)10(3)4;2-1-3/h7-10H,5-6H2,1-4H3;
InChIKeyHCQUJIDGQOZSCB-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.72
Rot. Bonds4

About carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine

carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine (PubChem CID 158439688) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Namecarbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
PubChem CID158439688
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Namecarbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
SMILESCCc1nn(CC)c(-c2cnccc2C(C)C)c1Cl.O=C=O
InChIInChI=1S/C15H20ClN3.CO2/c1-5-13-14(16)15(19(6-2)18-13)12-9-17-8-7-11(12)10(3)4;2-1-3/h7-10H,5-6H2,1-4H3;
InChIKeyHCQUJIDGQOZSCB-UHFFFAOYSA-N
XLogP3.72
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-chloro-1-ethyl-5-(4-propan-2-yl-3-pyridinyl)pyrazole-3-carboxylate
CID 146285786
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1-hydroxy-4-propan-2-ylpyridin-1-ium
CID 153296616
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105161498
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-yl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;nitrous acid
CID 158645104
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 153296811
carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 159854115
5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole
CID 153296114
6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
CID 153296742
4-propan-2-yl-3-pyridin-4-ylpyridine
CID 138726377
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699833
4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine?
The IUPAC name of carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine (CID 158439688) is carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine?
The canonical SMILES for carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine is CCc1nn(CC)c(-c2cnccc2C(C)C)c1Cl.O=C=O.
What is the InChIKey of carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine?
The InChIKey is HCQUJIDGQOZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3.CO2/c1-5-13-14(16)15(19(6-2)18-13)12-9-17-8-7-11(12)10(3)4;2-1-3/h7-10H,5-6H2,1-4H3;.
What are the key properties of carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine?
carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine has a molecular weight of 321.81 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 158439688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).