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

C21H22N6O — CID 71259606

IUPACN-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCCNCc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C21H22N6O/c1-2-22-11-15-6-5-7-16(10-15)13-27-14-17(12-23-27)24-21(28)20-18-8-3-4-9-19(18)25-26-20/h3-10,12,14,22H,2,11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyXWJKORYPIGPXQP-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds7

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

N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71259606) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71259606
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCCNCc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C21H22N6O/c1-2-22-11-15-6-5-7-16(10-15)13-27-14-17(12-23-27)24-21(28)20-18-8-3-4-9-19(18)25-26-20/h3-10,12,14,22H,2,11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyXWJKORYPIGPXQP-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-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259502
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-[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
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 89412133
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
CID 89412129
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71259606) is N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is CCNCc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1.
What is the InChIKey of N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is XWJKORYPIGPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-22-11-15-6-5-7-16(10-15)13-27-14-17(12-23-27)24-21(28)20-18-8-3-4-9-19(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-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-[[3-(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-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).