[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate

C20H22N6O3 — CID 118305470

IUPAC[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
SMILESCn1ncc(C(=O)N2CCC2)c1OC(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C20H22N6O3/c1-24-19(16(14-22-24)18(27)25-10-5-11-25)29-20(28)21-9-13-26-12-8-17(23-26)15-6-3-2-4-7-15/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,21,28)
InChIKeyFXIFBXPCNXBMCM-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.92
Rot. Bonds6

About [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate

[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate (PubChem CID 118305470) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
PubChem CID118305470
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
SMILESCn1ncc(C(=O)N2CCC2)c1OC(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C20H22N6O3/c1-24-19(16(14-22-24)18(27)25-10-5-11-25)29-20(28)21-9-13-26-12-8-17(23-26)15-6-3-2-4-7-15/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,21,28)
InChIKeyFXIFBXPCNXBMCM-UHFFFAOYSA-N
XLogP1.92
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate 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

[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate
CID 118305448
[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate
CID 90197659
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514529
N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 118524356
N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 123622050
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
CID 3858161
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 159743631
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347

Frequently Asked Questions

What is the IUPAC name of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
The IUPAC name of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate (CID 118305470) is [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
The canonical SMILES for [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate is Cn1ncc(C(=O)N2CCC2)c1OC(=O)NCCn1ccc(-c2ccccc2)n1.
What is the InChIKey of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
The InChIKey is FXIFBXPCNXBMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-24-19(16(14-22-24)18(27)25-10-5-11-25)29-20(28)21-9-13-26-12-8-17(23-26)15-6-3-2-4-7-15/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,21,28).
What are the key properties of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate has a molecular weight of 394.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 118305470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).