methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate

C23H25N5O4 — CID 55571972

IUPACmethyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)c1
InChIInChI=1S/C23H25N5O4/c1-32-23(31)15-9-10-19(27-11-5-6-12-27)17(13-15)25-22(30)18-14-20(21(24)29)28(26-18)16-7-3-2-4-8-16/h2-4,7-10,13,20H,5-6,11-12,14H2,1H3,(H2,24,29)(H,25,30)
InChIKeyPELLJVLYFKQIQH-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.13
Rot. Bonds6

About methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate

methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate (PubChem CID 55571972) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
PubChem CID55571972
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Namemethyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)c1
InChIInChI=1S/C23H25N5O4/c1-32-23(31)15-9-10-19(27-11-5-6-12-27)17(13-15)25-22(30)18-14-20(21(24)29)28(26-18)16-7-3-2-4-8-16/h2-4,7-10,13,20H,5-6,11-12,14H2,1H3,(H2,24,29)(H,25,30)
InChIKeyPELLJVLYFKQIQH-UHFFFAOYSA-N
XLogP2.13
TPSA117.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate 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

methyl 3-[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]-4-chlorobenzoate
CID 55561444
methyl 3-[(2-phenyltriazole-4-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 46515124
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 112830752
5-N-(6-methoxy-3-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46548689
2-phenyl-5-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 60554049
methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 47021822
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 60620525
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561620
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
(3R)-3-acetyl-2-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydropyrazole-5-carboxamide
CID 99716475

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
The IUPAC name of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate (CID 55571972) is methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate is COC(=O)c1ccc(N2CCCC2)c(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)c1.
What is the InChIKey of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
The InChIKey is PELLJVLYFKQIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-32-23(31)15-9-10-19(27-11-5-6-12-27)17(13-15)25-22(30)18-14-20(21(24)29)28(26-18)16-7-3-2-4-8-16/h2-4,7-10,13,20H,5-6,11-12,14H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate has a molecular weight of 435.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 55571972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).