N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide

C23H24N4O — CID 36752954

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2c1
InChIInChI=1S/C23H24N4O/c1-15-9-10-21-19(11-15)12-22(25-21)23(28)24-13-20-16(2)26-27(17(20)3)14-18-7-5-4-6-8-18/h4-12,25H,13-14H2,1-3H3,(H,24,28)
InChIKeyVZZYCOBPHFNZDJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.27
Rot. Bonds5

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 36752954) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID36752954
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2c1
InChIInChI=1S/C23H24N4O/c1-15-9-10-21-19(11-15)12-22(25-21)23(28)24-13-20-16(2)26-27(17(20)3)14-18-7-5-4-6-8-18/h4-12,25H,13-14H2,1-3H3,(H,24,28)
InChIKeyVZZYCOBPHFNZDJ-UHFFFAOYSA-N
XLogP4.27
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31312075
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26956926
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloropyridine-4-carboxamide
CID 34306724
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532851
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 17499817
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 8943603
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide (CID 36752954) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2c1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is VZZYCOBPHFNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-9-10-21-19(11-15)12-22(25-21)23(28)24-13-20-16(2)26-27(17(20)3)14-18-7-5-4-6-8-18/h4-12,25H,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 36752954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).