N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide

C22H30N4O2 — CID 75254957

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(c3cccc(OC)c3)NN2)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)17-10-11-19(15(3)12-17)23-22(27)21-14-20(24-25-21)16-8-7-9-18(13-16)28-4/h7-13,20-21,24-25H,5-6,14H2,1-4H3,(H,23,27)
InChIKeyCVJPQMBURJVDSN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.40
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75254957) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75254957
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(c3cccc(OC)c3)NN2)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)17-10-11-19(15(3)12-17)23-22(27)21-14-20(24-25-21)16-8-7-9-18(13-16)28-4/h7-13,20-21,24-25H,5-6,14H2,1-4H3,(H,23,27)
InChIKeyCVJPQMBURJVDSN-UHFFFAOYSA-N
XLogP3.40
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143459
5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[(2-chloro-4-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75255262
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133257
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide (CID 75254957) is N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC(c3cccc(OC)c3)NN2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is CVJPQMBURJVDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-26(6-2)17-10-11-19(15(3)12-17)23-22(27)21-14-20(24-25-21)16-8-7-9-18(13-16)28-4/h7-13,20-21,24-25H,5-6,14H2,1-4H3,(H,23,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).