N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide

C21H23N5O2 — CID 78087940

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide
SMILESCOc1cccc(C2NNCC2C(=O)NCc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C21H23N5O2/c1-28-17-7-4-6-15(11-17)20-18(13-24-25-20)21(27)23-12-16-5-2-3-8-19(16)26-10-9-22-14-26/h2-11,14,18,20,24-25H,12-13H2,1H3,(H,23,27)
InChIKeyZNRBDOBYYTVVTD-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.96
Rot. Bonds6

About N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide

N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide (PubChem CID 78087940) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide
PubChem CID78087940
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide
SMILESCOc1cccc(C2NNCC2C(=O)NCc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C21H23N5O2/c1-28-17-7-4-6-15(11-17)20-18(13-24-25-20)21(27)23-12-16-5-2-3-8-19(16)26-10-9-22-14-26/h2-11,14,18,20,24-25H,12-13H2,1H3,(H,23,27)
InChIKeyZNRBDOBYYTVVTD-UHFFFAOYSA-N
XLogP1.96
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 97014244
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 92672066
N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 92671810
1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 91841223
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132610553
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide (CID 78087940) is N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide is COc1cccc(C2NNCC2C(=O)NCc2ccccc2-n2ccnc2)c1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide?
The InChIKey is ZNRBDOBYYTVVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-17-7-4-6-15(11-17)20-18(13-24-25-20)21(27)23-12-16-5-2-3-8-19(16)26-10-9-22-14-26/h2-11,14,18,20,24-25H,12-13H2,1H3,(H,23,27).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 78087940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).