5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide

C17H19N5O2 — CID 136538752

IUPAC5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1
InChIInChI=1S/C17H19N5O2/c1-4-13-12(9-22(3)21-13)16(23)19-11-5-6-14-10(7-11)8-15(20-14)17(24)18-2/h5-9,20H,4H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyBDNKSGALPHEGGE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.08
Rot. Bonds4

About 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide

5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 136538752) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
PubChem CID136538752
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1
InChIInChI=1S/C17H19N5O2/c1-4-13-12(9-22(3)21-13)16(23)19-11-5-6-14-10(7-11)8-15(20-14)17(24)18-2/h5-9,20H,4H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyBDNKSGALPHEGGE-UHFFFAOYSA-N
XLogP2.08
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
CID 167951270
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid
CID 102810278
N-[3-(3-chloropropyl)phenyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811355
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 102810182
5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
CID 154798871
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
CID 122159526
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide (CID 136538752) is 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide is CCc1nn(C)cc1C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is BDNKSGALPHEGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-13-12(9-22(3)21-13)16(23)19-11-5-6-14-10(7-11)8-15(20-14)17(24)18-2/h5-9,20H,4H2,1-3H3,(H,18,24)(H,19,23).
What are the key properties of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 136538752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).