N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C21H22N6O — CID 71259502

IUPACN-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCCNCc1ccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C21H22N6O/c1-2-22-11-15-7-9-16(10-8-15)13-27-14-17(12-23-27)24-21(28)20-18-5-3-4-6-19(18)25-26-20/h3-10,12,14,22H,2,11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyHQZUZBYMTXOFJH-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds7

About N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71259502) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71259502
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCCNCc1ccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C21H22N6O/c1-2-22-11-15-7-9-16(10-8-15)13-27-14-17(12-23-27)24-21(28)20-18-5-3-4-6-19(18)25-26-20/h3-10,12,14,22H,2,11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyHQZUZBYMTXOFJH-UHFFFAOYSA-N
XLogP3.17
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614
N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259778
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
CID 89412129
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 55983536
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
CID 89412134
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71259502) is N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is CCNCc1ccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)cc1.
What is the InChIKey of N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is HQZUZBYMTXOFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-22-11-15-7-9-16(10-8-15)13-27-14-17(12-23-27)24-21(28)20-18-5-3-4-6-19(18)25-26-20/h3-10,12,14,22H,2,11,13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).