N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide

C20H23ClN4O — CID 18288172

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1n[nH]c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C20H23ClN4O/c1-3-25(4-2)18(14-9-5-7-11-16(14)21)13-22-20(26)19-15-10-6-8-12-17(15)23-24-19/h5-12,18H,3-4,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQBMKUXFROKJDFY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide (PubChem CID 18288172) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
PubChem CID18288172
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1n[nH]c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C20H23ClN4O/c1-3-25(4-2)18(14-9-5-7-11-16(14)21)13-22-20(26)19-15-10-6-8-12-17(15)23-24-19/h5-12,18H,3-4,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQBMKUXFROKJDFY-UHFFFAOYSA-N
XLogP4.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 24638668
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylthiadiazole-5-carboxamide
CID 26834158
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522526
4-bromo-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564381

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide (CID 18288172) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide is CCN(CC)C(CNC(=O)c1n[nH]c2ccccc12)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is QBMKUXFROKJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-3-25(4-2)18(14-9-5-7-11-16(14)21)13-22-20(26)19-15-10-6-8-12-17(15)23-24-19/h5-12,18H,3-4,13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 18288172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).