1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide

C14H18N4O2 — CID 166139569

IUPAC1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1ncc2cc(CNC(=O)C3CCCN3O)ccc21
InChIInChI=1S/C14H18N4O2/c1-17-12-5-4-10(7-11(12)9-16-17)8-15-14(19)13-3-2-6-18(13)20/h4-5,7,9,13,20H,2-3,6,8H2,1H3,(H,15,19)
InChIKeyKCBZUMIMMUDMQM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds3

About 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide

1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 166139569) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID166139569
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1ncc2cc(CNC(=O)C3CCCN3O)ccc21
InChIInChI=1S/C14H18N4O2/c1-17-12-5-4-10(7-11(12)9-16-17)8-15-14(19)13-3-2-6-18(13)20/h4-5,7,9,13,20H,2-3,6,8H2,1H3,(H,15,19)
InChIKeyKCBZUMIMMUDMQM-UHFFFAOYSA-N
XLogP1.04
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 166139569) is 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide is Cn1ncc2cc(CNC(=O)C3CCCN3O)ccc21.
What is the InChIKey of 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KCBZUMIMMUDMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-12-5-4-10(7-11(12)9-16-17)8-15-14(19)13-3-2-6-18(13)20/h4-5,7,9,13,20H,2-3,6,8H2,1H3,(H,15,19).
What are the key properties of 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide?
1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).