N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide

C21H20N4O2 — CID 46666185

IUPACN-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H20N4O2/c26-20(11-15-13-22-25(14-15)19-7-2-1-3-8-19)23-17-5-4-6-18(12-17)24-21(27)16-9-10-16/h1-8,12-14,16H,9-11H2,(H,23,26)(H,24,27)
InChIKeyOIHRGUBWUNLDRD-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.40
Rot. Bonds6

About N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 46666185) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID46666185
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H20N4O2/c26-20(11-15-13-22-25(14-15)19-7-2-1-3-8-19)23-17-5-4-6-18(12-17)24-21(27)16-9-10-16/h1-8,12-14,16H,9-11H2,(H,23,26)(H,24,27)
InChIKeyOIHRGUBWUNLDRD-UHFFFAOYSA-N
XLogP3.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569187
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 56582430
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 46666185) is N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is OIHRGUBWUNLDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(11-15-13-22-25(14-15)19-7-2-1-3-8-19)23-17-5-4-6-18(12-17)24-21(27)16-9-10-16/h1-8,12-14,16H,9-11H2,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46666185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).