4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide

C17H20N4O2 — CID 19410910

IUPAC4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
SMILESCOCn1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C17H20N4O2/c1-23-12-21-11-14(10-19-21)20-17(22)8-4-5-13-9-18-16-7-3-2-6-15(13)16/h2-3,6-7,9-11,18H,4-5,8,12H2,1H3,(H,20,22)
InChIKeyFRFVLPWVBAPQNO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.93
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide

4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide (PubChem CID 19410910) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
PubChem CID19410910
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
SMILESCOCn1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C17H20N4O2/c1-23-12-21-11-14(10-19-21)20-17(22)8-4-5-13-9-18-16-7-3-2-6-15(13)16/h2-3,6-7,9-11,18H,4-5,8,12H2,1H3,(H,20,22)
InChIKeyFRFVLPWVBAPQNO-UHFFFAOYSA-N
XLogP2.93
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410084
3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19340671
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952
4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19405981
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19322988

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide (CID 19410910) is 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide is COCn1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide?
The InChIKey is FRFVLPWVBAPQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-12-21-11-14(10-19-21)20-17(22)8-4-5-13-9-18-16-7-3-2-6-15(13)16/h2-3,6-7,9-11,18H,4-5,8,12H2,1H3,(H,20,22).
What are the key properties of 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide?
4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide has a molecular weight of 312.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 19410910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).