N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

C24H32N6O2 — CID 46482900

IUPACN-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(Cc2ccccc2)N(CC)CC)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C24H32N6O2/c1-5-21-20(17-26-30(21)22-13-14-23(32-4)28-27-22)24(31)25-16-19(29(6-2)7-3)15-18-11-9-8-10-12-18/h8-14,17,19H,5-7,15-16H2,1-4H3,(H,25,31)
InChIKeyUDDSRRJBKLRMCU-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.92
Rot. Bonds11

About N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 46482900) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID46482900
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(Cc2ccccc2)N(CC)CC)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C24H32N6O2/c1-5-21-20(17-26-30(21)22-13-14-23(32-4)28-27-22)24(31)25-16-19(29(6-2)7-3)15-18-11-9-8-10-12-18/h8-14,17,19H,5-7,15-16H2,1-4H3,(H,25,31)
InChIKeyUDDSRRJBKLRMCU-UHFFFAOYSA-N
XLogP2.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (CID 46482900) is N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC(Cc2ccccc2)N(CC)CC)cnn1-c1ccc(OC)nn1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is UDDSRRJBKLRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-5-21-20(17-26-30(21)22-13-14-23(32-4)28-27-22)24(31)25-16-19(29(6-2)7-3)15-18-11-9-8-10-12-18/h8-14,17,19H,5-7,15-16H2,1-4H3,(H,25,31).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 46482900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).