N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide

C20H18N4O — CID 119058397

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C20H18N4O/c25-20(15-5-3-4-14(12-15)18-9-11-23-24-18)21-10-8-16-13-22-19-7-2-1-6-17(16)19/h1-7,9,11-13,22H,8,10H2,(H,21,25)(H,23,24)
InChIKeyLIOXVAKRZHYNQJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide

N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 119058397) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
PubChem CID119058397
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C20H18N4O/c25-20(15-5-3-4-14(12-15)18-9-11-23-24-18)21-10-8-16-13-22-19-7-2-1-6-17(16)19/h1-7,9,11-13,22H,8,10H2,(H,21,25)(H,23,24)
InChIKeyLIOXVAKRZHYNQJ-UHFFFAOYSA-N
XLogP3.53
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide (CID 119058397) is N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide is O=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is LIOXVAKRZHYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(15-5-3-4-14(12-15)18-9-11-23-24-18)21-10-8-16-13-22-19-7-2-1-6-17(16)19/h1-7,9,11-13,22H,8,10H2,(H,21,25)(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 119058397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).