3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C21H28N4O — CID 71709838

IUPAC3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CNC(=O)CCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C21H28N4O/c1-14(2)25-13-17(18-8-6-7-9-20(18)25)10-11-21(26)22-12-19-15(3)23-24(5)16(19)4/h6-9,13-14H,10-12H2,1-5H3,(H,22,26)
InChIKeyIDHKFOTZJRXCMK-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.82
Rot. Bonds6

About 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 71709838) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID71709838
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CNC(=O)CCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C21H28N4O/c1-14(2)25-13-17(18-8-6-7-9-20(18)25)10-11-21(26)22-12-19-15(3)23-24(5)16(19)4/h6-9,13-14H,10-12H2,1-5H3,(H,22,26)
InChIKeyIDHKFOTZJRXCMK-UHFFFAOYSA-N
XLogP3.82
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71706266
N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
3-[4-(dimethylamino)phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110441139
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 71709838) is 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CNC(=O)CCc1cn(C(C)C)c2ccccc12.
What is the InChIKey of 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is IDHKFOTZJRXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14(2)25-13-17(18-8-6-7-9-20(18)25)10-11-21(26)22-12-19-15(3)23-24(5)16(19)4/h6-9,13-14H,10-12H2,1-5H3,(H,22,26).
What are the key properties of 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 71709838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).