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

C20H17N5O — CID 174507017

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
SMILESNC(=O)N(c1ccccc1)c1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C20H17N5O/c21-19-18-16(7-4-8-17(18)23-24-19)13-9-11-15(12-10-13)25(20(22)26)14-5-2-1-3-6-14/h1-12H,(H2,22,26)(H3,21,23,24)
InChIKeySQLGSOVOTHDRND-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.03
Rot. Bonds3

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

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea (PubChem CID 174507017) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
PubChem CID174507017
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
SMILESNC(=O)N(c1ccccc1)c1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C20H17N5O/c21-19-18-16(7-4-8-17(18)23-24-19)13-9-11-15(12-10-13)25(20(22)26)14-5-2-1-3-6-14/h1-12H,(H2,22,26)(H3,21,23,24)
InChIKeySQLGSOVOTHDRND-UHFFFAOYSA-N
XLogP4.03
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.03
H-Bond Donors ≤ 53
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]-1-phenylurea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea (CID 174507017) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea is NC(=O)N(c1ccccc1)c1ccc(-c2cccc3[nH]nc(N)c23)cc1.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea?
The InChIKey is SQLGSOVOTHDRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-19-18-16(7-4-8-17(18)23-24-19)13-9-11-15(12-10-13)25(20(22)26)14-5-2-1-3-6-14/h1-12H,(H2,22,26)(H3,21,23,24).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea has a molecular weight of 343.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 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]-1-phenylurea is sourced from PubChem (CID 174507017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).