N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide

C30H27N5O2 — CID 155810123

IUPACN-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(NCCNC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C30H27N5O2/c1-37-26-14-8-11-24(19-26)29-27(21-35(34-29)25-12-6-3-7-13-25)23-15-16-31-28(20-23)32-17-18-33-30(36)22-9-4-2-5-10-22/h2-16,19-21H,17-18H2,1H3,(H,31,32)(H,33,36)
InChIKeyYZGIZCDSLPOPCG-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.45
Rot. Bonds9

About N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide

N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 155810123) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide
PubChem CID155810123
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC NameN-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(NCCNC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C30H27N5O2/c1-37-26-14-8-11-24(19-26)29-27(21-35(34-29)25-12-6-3-7-13-25)23-15-16-31-28(20-23)32-17-18-33-30(36)22-9-4-2-5-10-22/h2-16,19-21H,17-18H2,1H3,(H,31,32)(H,33,36)
InChIKeyYZGIZCDSLPOPCG-UHFFFAOYSA-N
XLogP5.45
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
CID 155807269
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 155810179
N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]naphthalene-1-sulfonamide
CID 155813390
[4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazin-1-yl]-phenylmethanone
CID 171920716
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide (CID 155810123) is N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide is COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(NCCNC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is YZGIZCDSLPOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-37-26-14-8-11-24(19-26)29-27(21-35(34-29)25-12-6-3-7-13-25)23-15-16-31-28(20-23)32-17-18-33-30(36)22-9-4-2-5-10-22/h2-16,19-21H,17-18H2,1H3,(H,31,32)(H,33,36).
What are the key properties of N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide?
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 489.58 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 155810123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).