N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide

C14H17N3O — CID 22319483

IUPACN-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide
SMILESC/C=C/c1ccc2c(NC(=O)CCC)n[nH]c2c1
InChIInChI=1S/C14H17N3O/c1-3-5-10-7-8-11-12(9-10)16-17-14(11)15-13(18)6-4-2/h3,5,7-9H,4,6H2,1-2H3,(H2,15,16,17,18)/b5-3+
InChIKeyKPYYGELCJSEEPK-HWKANZROSA-N
MW243.31 g/mol
LogP3.33
Rot. Bonds4

About N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide

N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide (PubChem CID 22319483) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide
PubChem CID22319483
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide
SMILESC/C=C/c1ccc2c(NC(=O)CCC)n[nH]c2c1
InChIInChI=1S/C14H17N3O/c1-3-5-10-7-8-11-12(9-10)16-17-14(11)15-13(18)6-4-2/h3,5,7-9H,4,6H2,1-2H3,(H2,15,16,17,18)/b5-3+
InChIKeyKPYYGELCJSEEPK-HWKANZROSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide (CID 22319483) is N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide is C/C=C/c1ccc2c(NC(=O)CCC)n[nH]c2c1.
What is the InChIKey of N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide?
The InChIKey is KPYYGELCJSEEPK-HWKANZROSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-5-10-7-8-11-12(9-10)16-17-14(11)15-13(18)6-4-2/h3,5,7-9H,4,6H2,1-2H3,(H2,15,16,17,18)/b5-3+.
What are the key properties of N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide?
N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide has a molecular weight of 243.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-prop-1-enyl]-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).