N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide

C22H22N6O2 — CID 46426954

IUPACN'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cnn1-c1ccccn1
InChIInChI=1S/C22H22N6O2/c1-14(2)21-17(13-25-28(21)19-9-5-6-10-23-19)22(30)27-26-20(29)11-15-12-24-18-8-4-3-7-16(15)18/h3-10,12-14,24H,11H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySSLNEKCOWFCLEC-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.88
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide (PubChem CID 46426954) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
PubChem CID46426954
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cnn1-c1ccccn1
InChIInChI=1S/C22H22N6O2/c1-14(2)21-17(13-25-28(21)19-9-5-6-10-23-19)22(30)27-26-20(29)11-15-12-24-18-8-4-3-7-16(15)18/h3-10,12-14,24H,11H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySSLNEKCOWFCLEC-UHFFFAOYSA-N
XLogP2.88
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46490611
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
N'-[2-(1H-indol-3-yl)acetyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 36759070
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070384
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
N-(8-methylquinolin-5-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55670870

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide (CID 46426954) is N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cnn1-c1ccccn1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The InChIKey is SSLNEKCOWFCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14(2)21-17(13-25-28(21)19-9-5-6-10-23-19)22(30)27-26-20(29)11-15-12-24-18-8-4-3-7-16(15)18/h3-10,12-14,24H,11H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide has a molecular weight of 402.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46426954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).