1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide

C14H18N4O — CID 103117381

IUPAC1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
SMILESCC1CNCC1NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N4O/c1-9-7-15-8-11(9)16-14(19)13-10-5-3-4-6-12(10)18(2)17-13/h3-6,9,11,15H,7-8H2,1-2H3,(H,16,19)
InChIKeyXYDUKMGVMODAJZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.91
Rot. Bonds2

About 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide

1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide (PubChem CID 103117381) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
PubChem CID103117381
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
SMILESCC1CNCC1NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N4O/c1-9-7-15-8-11(9)16-14(19)13-10-5-3-4-6-12(10)18(2)17-13/h3-6,9,11,15H,7-8H2,1-2H3,(H,16,19)
InChIKeyXYDUKMGVMODAJZ-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide (CID 103117381) is 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide is CC1CNCC1NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide?
The InChIKey is XYDUKMGVMODAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-15-8-11(9)16-14(19)13-10-5-3-4-6-12(10)18(2)17-13/h3-6,9,11,15H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide?
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide is sourced from PubChem (CID 103117381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).