N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide

C20H33N5O2 — CID 134067175

IUPACN-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)N(C)CC3CC(C(C)(C)C)NN3)NN2)cc1
InChIInChI=1S/C20H33N5O2/c1-20(2,3)18-10-14(21-24-18)12-25(4)19(26)17-11-16(22-23-17)13-6-8-15(27-5)9-7-13/h6-9,14,16-18,21-24H,10-12H2,1-5H3
InChIKeyXYSSMSJXJMNBLE-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.34
Rot. Bonds5

About N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide

N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide (PubChem CID 134067175) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide
PubChem CID134067175
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)N(C)CC3CC(C(C)(C)C)NN3)NN2)cc1
InChIInChI=1S/C20H33N5O2/c1-20(2,3)18-10-14(21-24-18)12-25(4)19(26)17-11-16(22-23-17)13-6-8-15(27-5)9-7-13/h6-9,14,16-18,21-24H,10-12H2,1-5H3
InChIKeyXYSSMSJXJMNBLE-UHFFFAOYSA-N
XLogP1.34
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134079824
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74787202
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653
N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133266471
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide
CID 156591339
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide (CID 134067175) is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)N(C)CC3CC(C(C)(C)C)NN3)NN2)cc1.
What is the InChIKey of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide?
The InChIKey is XYSSMSJXJMNBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-20(2,3)18-10-14(21-24-18)12-25(4)19(26)17-11-16(22-23-17)13-6-8-15(27-5)9-7-13/h6-9,14,16-18,21-24H,10-12H2,1-5H3.
What are the key properties of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide?
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134067175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).