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

C21H22N6O — CID 71259557

IUPACN-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C21H22N6O/c1-26(2)12-15-6-5-7-16(10-15)13-27-14-17(11-22-27)23-21(28)20-18-8-3-4-9-19(18)24-25-20/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyRCUWJYHRBAZBHZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.12
Rot. Bonds6

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

N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71259557) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71259557
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C21H22N6O/c1-26(2)12-15-6-5-7-16(10-15)13-27-14-17(11-22-27)23-21(28)20-18-8-3-4-9-19(18)24-25-20/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyRCUWJYHRBAZBHZ-UHFFFAOYSA-N
XLogP3.12
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71259557) is N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is CN(C)Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1.
What is the InChIKey of N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is RCUWJYHRBAZBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-26(2)12-15-6-5-7-16(10-15)13-27-14-17(11-22-27)23-21(28)20-18-8-3-4-9-19(18)24-25-20/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).