1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea

C19H21N5O — CID 11404903

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C19H21N5O/c20-18-17-15(6-3-7-16(17)23-24-18)12-8-10-14(11-9-12)22-19(25)21-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5H2,(H3,20,23,24)(H2,21,22,25)
InChIKeyXUAVZPFKUWDJJL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.88
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea (PubChem CID 11404903) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea
PubChem CID11404903
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C19H21N5O/c20-18-17-15(6-3-7-16(17)23-24-18)12-8-10-14(11-9-12)22-19(25)21-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5H2,(H3,20,23,24)(H2,21,22,25)
InChIKeyXUAVZPFKUWDJJL-UHFFFAOYSA-N
XLogP3.88
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea (CID 11404903) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea is Nc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea?
The InChIKey is XUAVZPFKUWDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-18-17-15(6-3-7-16(17)23-24-18)12-8-10-14(11-9-12)22-19(25)21-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5H2,(H3,20,23,24)(H2,21,22,25).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea has a molecular weight of 335.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-cyclopentylurea is sourced from PubChem (CID 11404903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).