[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea

C23H27N7O2 — CID 69225287

IUPAC[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCc1ccc(Cn2ncc(Nc3ccc(C(=O)N4CCCC4)cc3NC(N)=O)c2N)cc1
InChIInChI=1S/C23H27N7O2/c1-15-4-6-16(7-5-15)14-30-21(24)20(13-26-30)27-18-9-8-17(12-19(18)28-23(25)32)22(31)29-10-2-3-11-29/h4-9,12-13,27H,2-3,10-11,14,24H2,1H3,(H3,25,28,32)
InChIKeyYYAGKDSRBYBNBA-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.29
Rot. Bonds6

About [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea

[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 69225287) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID69225287
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCc1ccc(Cn2ncc(Nc3ccc(C(=O)N4CCCC4)cc3NC(N)=O)c2N)cc1
InChIInChI=1S/C23H27N7O2/c1-15-4-6-16(7-5-15)14-30-21(24)20(13-26-30)27-18-9-8-17(12-19(18)28-23(25)32)22(31)29-10-2-3-11-29/h4-9,12-13,27H,2-3,10-11,14,24H2,1H3,(H3,25,28,32)
InChIKeyYYAGKDSRBYBNBA-UHFFFAOYSA-N
XLogP3.29
TPSA131.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea with MolForge

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Related Compounds

[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
CID 53012811
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46533344
[5-chloro-1-[(4-methylphenyl)methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 91938627
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[3-amino-4-(4-butylanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100635993
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 48981094
[3-amino-4-(methylamino)phenyl]-piperidin-1-ylmethanone
CID 154253813
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 70773204

Frequently Asked Questions

What is the IUPAC name of [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea (CID 69225287) is [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea is Cc1ccc(Cn2ncc(Nc3ccc(C(=O)N4CCCC4)cc3NC(N)=O)c2N)cc1.
What is the InChIKey of [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is YYAGKDSRBYBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-4-6-16(7-5-15)14-30-21(24)20(13-26-30)27-18-9-8-17(12-19(18)28-23(25)32)22(31)29-10-2-3-11-29/h4-9,12-13,27H,2-3,10-11,14,24H2,1H3,(H3,25,28,32).
What are the key properties of [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea?
[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 433.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 69225287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).