1-[3-(dimethylamino)propyl]indazole-5-carboxamide

C13H18N4O — CID 22933619

IUPAC1-[3-(dimethylamino)propyl]indazole-5-carboxamide
SMILESCN(C)CCCn1ncc2cc(C(N)=O)ccc21
InChIInChI=1S/C13H18N4O/c1-16(2)6-3-7-17-12-5-4-10(13(14)18)8-11(12)9-15-17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,18)
InChIKeyWTUXTHCTJHJAQY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.09
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]indazole-5-carboxamide

1-[3-(dimethylamino)propyl]indazole-5-carboxamide (PubChem CID 22933619) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]indazole-5-carboxamide
PubChem CID22933619
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[3-(dimethylamino)propyl]indazole-5-carboxamide
SMILESCN(C)CCCn1ncc2cc(C(N)=O)ccc21
InChIInChI=1S/C13H18N4O/c1-16(2)6-3-7-17-12-5-4-10(13(14)18)8-11(12)9-15-17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,18)
InChIKeyWTUXTHCTJHJAQY-UHFFFAOYSA-N
XLogP1.09
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]indazole-5-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]indazole-5-carboxamide (CID 22933619) is 1-[3-(dimethylamino)propyl]indazole-5-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]indazole-5-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]indazole-5-carboxamide is CN(C)CCCn1ncc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]indazole-5-carboxamide?
The InChIKey is WTUXTHCTJHJAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16(2)6-3-7-17-12-5-4-10(13(14)18)8-11(12)9-15-17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,18).
What are the key properties of 1-[3-(dimethylamino)propyl]indazole-5-carboxamide?
1-[3-(dimethylamino)propyl]indazole-5-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]indazole-5-carboxamide is sourced from PubChem (CID 22933619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).