6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H22N6O2 — CID 147064875

IUPAC6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCNc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCC(O)C4)cn2)c1
InChIInChI=1S/C19H22N6O2/c1-20-13-4-2-3-12(7-13)10-25-11-14(9-21-25)22-19(27)18-16-6-5-15(26)8-17(16)23-24-18/h2-4,7,9,11,15,20,26H,5-6,8,10H2,1H3,(H,22,27)(H,23,24)
InChIKeyBDWRHMZCOHLHRB-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.80
Rot. Bonds5

About 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 147064875) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID147064875
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCNc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCC(O)C4)cn2)c1
InChIInChI=1S/C19H22N6O2/c1-20-13-4-2-3-12(7-13)10-25-11-14(9-21-25)22-19(27)18-16-6-5-15(26)8-17(16)23-24-18/h2-4,7,9,11,15,20,26H,5-6,8,10H2,1H3,(H,22,27)(H,23,24)
InChIKeyBDWRHMZCOHLHRB-UHFFFAOYSA-N
XLogP1.80
TPSA107.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
5-tert-butyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19338126
N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
CID 89412134
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 159710960
N-(1-benzylpyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19397570
3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212808
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
CID 46951892
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24827282

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 147064875) is 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CNc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCC(O)C4)cn2)c1.
What is the InChIKey of 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is BDWRHMZCOHLHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-20-13-4-2-3-12(7-13)10-25-11-14(9-21-25)22-19(27)18-16-6-5-15(26)8-17(16)23-24-18/h2-4,7,9,11,15,20,26H,5-6,8,10H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 147064875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).