N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide

C21H20N6O2 — CID 43070019

IUPACN'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccccn1
InChIInChI=1S/C21H20N6O2/c1-13(2)19-16(12-24-27(19)18-9-5-6-10-22-18)21(29)26-25-20(28)15-11-23-17-8-4-3-7-14(15)17/h3-13,23H,1-2H3,(H,25,28)(H,26,29)
InChIKeyBVDGWFFWZKRCCB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.95
Rot. Bonds4

About N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide

N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide (PubChem CID 43070019) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
PubChem CID43070019
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccccn1
InChIInChI=1S/C21H20N6O2/c1-13(2)19-16(12-24-27(19)18-9-5-6-10-22-18)21(29)26-25-20(28)15-11-23-17-8-4-3-7-14(15)17/h3-13,23H,1-2H3,(H,25,28)(H,26,29)
InChIKeyBVDGWFFWZKRCCB-UHFFFAOYSA-N
XLogP2.95
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.95
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'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399
N-(8-methylquinolin-5-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55670870
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
N'-[2-(3-bromophenoxy)propanoyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 55649412
5-methyl-1-pyridin-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78861089
N-(5-chloro-1-methylpyrazol-4-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126834415
N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 43070233
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999

Frequently Asked Questions

What is the IUPAC name of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide (CID 43070019) is N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccccn1.
What is the InChIKey of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The InChIKey is BVDGWFFWZKRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13(2)19-16(12-24-27(19)18-9-5-6-10-22-18)21(29)26-25-20(28)15-11-23-17-8-4-3-7-14(15)17/h3-13,23H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide has a molecular weight of 388.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 43070019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).