N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C22H29N7O — CID 111740880

IUPACN-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn(-c2ccc(OC)cc2)n1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C22H29N7O/c1-4-23-22(28-11-9-17(16-28)18-13-25-27(2)15-18)24-14-19-10-12-29(26-19)20-5-7-21(30-3)8-6-20/h5-8,10,12-13,15,17H,4,9,11,14,16H2,1-3H3,(H,23,24)
InChIKeyXAOUUNDDIXKBHW-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.57
Rot. Bonds6

About N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111740880) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111740880
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC NameN-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn(-c2ccc(OC)cc2)n1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C22H29N7O/c1-4-23-22(28-11-9-17(16-28)18-13-25-27(2)15-18)24-14-19-10-12-29(26-19)20-5-7-21(30-3)8-6-20/h5-8,10,12-13,15,17H,4,9,11,14,16H2,1-3H3,(H,23,24)
InChIKeyXAOUUNDDIXKBHW-UHFFFAOYSA-N
XLogP2.57
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-ethyl-3-hydroxy-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidine-1-carboximidamide
CID 111550922
N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111743243
N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726124
N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742825
N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743488
ethyl 4-[N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163356
N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 109406118
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111741678
N-ethyl-N'-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742132
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743244
N-ethyl-3-(4-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111731506
N-ethyl-4-(2-hydroxyphenyl)-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111740880) is N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccn(-c2ccc(OC)cc2)n1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is XAOUUNDDIXKBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-4-23-22(28-11-9-17(16-28)18-13-25-27(2)15-18)24-14-19-10-12-29(26-19)20-5-7-21(30-3)8-6-20/h5-8,10,12-13,15,17H,4,9,11,14,16H2,1-3H3,(H,23,24).
What are the key properties of N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 407.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111740880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).