5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide

C14H20N4O — CID 94177007

IUPAC5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
SMILESCC[C@@H](C)N(CC)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H20N4O/c1-4-9(3)18(5-2)14(19)13-11-8-10(15)6-7-12(11)16-17-13/h6-9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyANZGQLAQQYVUSX-SECBINFHSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds4

About 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide

5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide (PubChem CID 94177007) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
PubChem CID94177007
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
SMILESCC[C@@H](C)N(CC)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H20N4O/c1-4-9(3)18(5-2)14(19)13-11-8-10(15)6-7-12(11)16-17-13/h6-9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyANZGQLAQQYVUSX-SECBINFHSA-N
XLogP2.41
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxyethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 54944396
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide
CID 115985170
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753
5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
CID 81053101
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide (CID 94177007) is 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide is CC[C@@H](C)N(CC)C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide?
The InChIKey is ANZGQLAQQYVUSX-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9(3)18(5-2)14(19)13-11-8-10(15)6-7-12(11)16-17-13/h6-9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide?
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 94177007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).