N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

C28H30N6O2 — CID 42274009

IUPACN-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4n[nH]c5c4CCCC5)c3)c2)c1
InChIInChI=1S/C28H30N6O2/c1-19-7-5-8-20(13-19)14-27(35)30-22-16-29-34(17-22)23-10-6-9-21(15-23)28(36)33(2)18-26-24-11-3-4-12-25(24)31-32-26/h5-10,13,15-17H,3-4,11-12,14,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyVQFBJMGXPJOUPU-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.24
Rot. Bonds7

About N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide (PubChem CID 42274009) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
PubChem CID42274009
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC NameN-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4n[nH]c5c4CCCC5)c3)c2)c1
InChIInChI=1S/C28H30N6O2/c1-19-7-5-8-20(13-19)14-27(35)30-22-16-29-34(17-22)23-10-6-9-21(15-23)28(36)33(2)18-26-24-11-3-4-12-25(24)31-32-26/h5-10,13,15-17H,3-4,11-12,14,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyVQFBJMGXPJOUPU-UHFFFAOYSA-N
XLogP4.24
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129
2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide
CID 42276002
N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 42170626
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-[1-[4-[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 42362452
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26316659
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
CID 119061772

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The IUPAC name of N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide (CID 42274009) is N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The canonical SMILES for N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4n[nH]c5c4CCCC5)c3)c2)c1.
What is the InChIKey of N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The InChIKey is VQFBJMGXPJOUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-19-7-5-8-20(13-19)14-27(35)30-22-16-29-34(17-22)23-10-6-9-21(15-23)28(36)33(2)18-26-24-11-3-4-12-25(24)31-32-26/h5-10,13,15-17H,3-4,11-12,14,18H2,1-2H3,(H,30,35)(H,31,32).
What are the key properties of N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide has a molecular weight of 482.59 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide is sourced from PubChem (CID 42274009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).