N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

C18H20F2N4O — CID 77085154

IUPACN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)C(C)Cn1cccn1
InChIInChI=1S/C18H20F2N4O/c1-11(10-24-7-3-5-22-24)18(25)21-6-4-14-12(2)23-17-15(14)8-13(19)9-16(17)20/h3,5,7-9,11,23H,4,6,10H2,1-2H3,(H,21,25)
InChIKeyAYYDKJUAJAWJQU-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 77085154) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID77085154
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)C(C)Cn1cccn1
InChIInChI=1S/C18H20F2N4O/c1-11(10-24-7-3-5-22-24)18(25)21-6-4-14-12(2)23-17-15(14)8-13(19)9-16(17)20/h3,5,7-9,11,23H,4,6,10H2,1-2H3,(H,21,25)
InChIKeyAYYDKJUAJAWJQU-UHFFFAOYSA-N
XLogP2.95
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 99931768
(2R)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97122669
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 39892018
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 137196556
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131924118
(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
CID 164640614
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131896806
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 77085154) is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)C(C)Cn1cccn1.
What is the InChIKey of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is AYYDKJUAJAWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-11(10-24-7-3-5-22-24)18(25)21-6-4-14-12(2)23-17-15(14)8-13(19)9-16(17)20/h3,5,7-9,11,23H,4,6,10H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 346.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 77085154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).