N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide

C22H20N8O — CID 89412133

IUPACN-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1cc2c(C(=O)Nc3cnn(Cc4cccc(N)c4)c3)n[nH]c2cc1-c1ccn[nH]1
InChIInChI=1S/C22H20N8O/c1-13-7-18-20(9-17(13)19-5-6-24-27-19)28-29-21(18)22(31)26-16-10-25-30(12-16)11-14-3-2-4-15(23)8-14/h2-10,12H,11,23H2,1H3,(H,24,27)(H,26,31)(H,28,29)
InChIKeySMNYCMITDSVYKB-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.34
Rot. Bonds5

About N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide

N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 89412133) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
PubChem CID89412133
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1cc2c(C(=O)Nc3cnn(Cc4cccc(N)c4)c3)n[nH]c2cc1-c1ccn[nH]1
InChIInChI=1S/C22H20N8O/c1-13-7-18-20(9-17(13)19-5-6-24-27-19)28-29-21(18)22(31)26-16-10-25-30(12-16)11-14-3-2-4-15(23)8-14/h2-10,12H,11,23H2,1H3,(H,24,27)(H,26,31)(H,28,29)
InChIKeySMNYCMITDSVYKB-UHFFFAOYSA-N
XLogP3.34
TPSA130.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
CID 89412134
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
6-(1H-pyrazol-5-yl)-N-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267284
N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259502

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide (CID 89412133) is N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide is Cc1cc2c(C(=O)Nc3cnn(Cc4cccc(N)c4)c3)n[nH]c2cc1-c1ccn[nH]1.
What is the InChIKey of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is SMNYCMITDSVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-7-18-20(9-17(13)19-5-6-24-27-19)28-29-21(18)22(31)26-16-10-25-30(12-16)11-14-3-2-4-15(23)8-14/h2-10,12H,11,23H2,1H3,(H,24,27)(H,26,31)(H,28,29).
What are the key properties of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide?
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89412133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).