N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C24H25N5O6 — CID 171349267

IUPACN-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(N(Cc2cn(C)c3ccccc23)C(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC
InChIInChI=1S/C24H25N5O6/c1-26-12-16(19-7-5-6-8-20(19)26)13-28(23(30)15-27-14-18(11-25-27)29(31)32)17-9-21(33-2)24(35-4)22(10-17)34-3/h5-12,14H,13,15H2,1-4H3
InChIKeyMSCDXLDOKUXPCX-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.54
Rot. Bonds9

About N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 171349267) has the molecular formula C24H25N5O6 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID171349267
Molecular FormulaC24H25N5O6
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC NameN-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(N(Cc2cn(C)c3ccccc23)C(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC
InChIInChI=1S/C24H25N5O6/c1-26-12-16(19-7-5-6-8-20(19)26)13-28(23(30)15-27-14-18(11-25-27)29(31)32)17-9-21(33-2)24(35-4)22(10-17)34-3/h5-12,14H,13,15H2,1-4H3
InChIKeyMSCDXLDOKUXPCX-UHFFFAOYSA-N
XLogP3.54
TPSA113.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide
CID 20851579
2-[carboxymethyl-[2-(4-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 63645061
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30209119
(E)-1-(1-hydroxynaphthalen-2-yl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one
CID 17123895
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
N-[(E)-1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 19660633
N-[[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 4087721
2-[[2-(4-nitropyrazol-1-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831883
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 171349267) is N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(N(Cc2cn(C)c3ccccc23)C(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MSCDXLDOKUXPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O6/c1-26-12-16(19-7-5-6-8-20(19)26)13-28(23(30)15-27-14-18(11-25-27)29(31)32)17-9-21(33-2)24(35-4)22(10-17)34-3/h5-12,14H,13,15H2,1-4H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 479.49 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 171349267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).