1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea

C17H17ClN4O — CID 21079218

IUPAC1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C17H17ClN4O/c1-10(2)19-17(23)20-16-13-8-12(11-6-4-3-5-7-11)14(18)9-15(13)21-22-16/h3-10H,1-2H3,(H3,19,20,21,22,23)
InChIKeyAFSAANXSEKAWGZ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.41
Rot. Bonds3

About 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea

1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea (PubChem CID 21079218) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
PubChem CID21079218
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C17H17ClN4O/c1-10(2)19-17(23)20-16-13-8-12(11-6-4-3-5-7-11)14(18)9-15(13)21-22-16/h3-10H,1-2H3,(H3,19,20,21,22,23)
InChIKeyAFSAANXSEKAWGZ-UHFFFAOYSA-N
XLogP4.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea (CID 21079218) is 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea?
The InChIKey is AFSAANXSEKAWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10(2)19-17(23)20-16-13-8-12(11-6-4-3-5-7-11)14(18)9-15(13)21-22-16/h3-10H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea?
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea has a molecular weight of 328.80 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea is sourced from PubChem (CID 21079218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).