N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide

C20H25N5O2 — CID 27692545

IUPACN'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H25N5O2/c1-12(2)11-25-14(4)16(13(3)24-25)9-19(26)22-23-20(27)17-10-21-18-8-6-5-7-15(17)18/h5-8,10,12,21H,9,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyCIHLTJWAEYEMNW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.64
Rot. Bonds5

About N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide

N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide (PubChem CID 27692545) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide
PubChem CID27692545
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H25N5O2/c1-12(2)11-25-14(4)16(13(3)24-25)9-19(26)22-23-20(27)17-10-21-18-8-6-5-7-15(17)18/h5-8,10,12,21H,9,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyCIHLTJWAEYEMNW-UHFFFAOYSA-N
XLogP2.64
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
CID 55466110
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 37245468
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653893
N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 29355154
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35277586
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide
CID 36850430
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 134061320
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide (CID 27692545) is N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide is Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide?
The InChIKey is CIHLTJWAEYEMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(2)11-25-14(4)16(13(3)24-25)9-19(26)22-23-20(27)17-10-21-18-8-6-5-7-15(17)18/h5-8,10,12,21H,9,11H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide?
N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide has a molecular weight of 367.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 27692545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).