5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide

C13H16N4O2 — CID 82740968

IUPAC5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(N)cc12)C1CCOC1
InChIInChI=1S/C13H16N4O2/c1-17(9-4-5-19-7-9)13(18)12-10-6-8(14)2-3-11(10)15-16-12/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyDQWCDOJQPKGREO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.01
Rot. Bonds2

About 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide

5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 82740968) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
PubChem CID82740968
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(N)cc12)C1CCOC1
InChIInChI=1S/C13H16N4O2/c1-17(9-4-5-19-7-9)13(18)12-10-6-8(14)2-3-11(10)15-16-12/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyDQWCDOJQPKGREO-UHFFFAOYSA-N
XLogP1.01
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide
CID 54944805
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 82741207
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 82738033
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide
CID 75535689
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
CID 60905135
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide (CID 82740968) is 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2ccc(N)cc12)C1CCOC1.
What is the InChIKey of 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is DQWCDOJQPKGREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(9-4-5-19-7-9)13(18)12-10-6-8(14)2-3-11(10)15-16-12/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide?
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 82740968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).