N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide

C20H24N4O — CID 126779213

IUPACN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)Nc3cnn(C(C)C4CC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-13-3-7-19-18(9-13)16(10-21-19)6-8-20(25)23-17-11-22-24(12-17)14(2)15-4-5-15/h3,7,9-12,14-15,21H,4-6,8H2,1-2H3,(H,23,25)
InChIKeyPQSCGZQKKQRZAK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.22
Rot. Bonds6

About N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide

N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide (PubChem CID 126779213) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
PubChem CID126779213
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)Nc3cnn(C(C)C4CC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-13-3-7-19-18(9-13)16(10-21-19)6-8-20(25)23-17-11-22-24(12-17)14(2)15-4-5-15/h3,7,9-12,14-15,21H,4-6,8H2,1-2H3,(H,23,25)
InChIKeyPQSCGZQKKQRZAK-UHFFFAOYSA-N
XLogP4.22
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 136548790
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
CID 71925432
3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 95930494
3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124725974
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 136533338
2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propanamide
CID 167780744
N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 167831441
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-(4-acetylphenyl)-2-(5-methyl-1H-indol-3-yl)acetamide
CID 110861147
2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide
CID 164631018

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide (CID 126779213) is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide is Cc1ccc2[nH]cc(CCC(=O)Nc3cnn(C(C)C4CC4)c3)c2c1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The InChIKey is PQSCGZQKKQRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-3-7-19-18(9-13)16(10-21-19)6-8-20(25)23-17-11-22-24(12-17)14(2)15-4-5-15/h3,7,9-12,14-15,21H,4-6,8H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 126779213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).