N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide

C19H24N4O — CID 19454245

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCCn1nccc1CN(C)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H24N4O/c1-3-23-16(11-12-21-23)14-22(2)19(24)10-6-7-15-13-20-18-9-5-4-8-17(15)18/h4-5,8-9,11-13,20H,3,6-7,10,14H2,1-2H3
InChIKeyMHKZYTRNRCFXGV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.37
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide

N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide (PubChem CID 19454245) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
PubChem CID19454245
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCCn1nccc1CN(C)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H24N4O/c1-3-23-16(11-12-21-23)14-22(2)19(24)10-6-7-15-13-20-18-9-5-4-8-17(15)18/h4-5,8-9,11-13,20H,3,6-7,10,14H2,1-2H3
InChIKeyMHKZYTRNRCFXGV-UHFFFAOYSA-N
XLogP3.37
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 35520918
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 38304184
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19322988
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide (CID 19454245) is N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide is CCn1nccc1CN(C)C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The InChIKey is MHKZYTRNRCFXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-23-16(11-12-21-23)14-22(2)19(24)10-6-7-15-13-20-18-9-5-4-8-17(15)18/h4-5,8-9,11-13,20H,3,6-7,10,14H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide has a molecular weight of 324.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide is sourced from PubChem (CID 19454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).