N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide

C19H24N4O2 — CID 71919085

IUPACN-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)Nc1ccn(C(C)c2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-13(20-19(25)16-9-6-10-16)18(24)21-17-11-12-23(22-17)14(2)15-7-4-3-5-8-15/h3-5,7-8,11-14,16H,6,9-10H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyVQAGGWAUSKNQPY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.74
Rot. Bonds6

About N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide

N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide (PubChem CID 71919085) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide
PubChem CID71919085
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)Nc1ccn(C(C)c2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-13(20-19(25)16-9-6-10-16)18(24)21-17-11-12-23(22-17)14(2)15-7-4-3-5-8-15/h3-5,7-8,11-14,16H,6,9-10H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyVQAGGWAUSKNQPY-UHFFFAOYSA-N
XLogP2.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 71970163
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 98874227
N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
CID 146138024
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
CID 97225833
4,4,4-trifluoro-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 97089043
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 166341323
2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide
CID 97066125
N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 99850149
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide (CID 71919085) is N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C(=O)Nc1ccn(C(C)c2ccccc2)n1.
What is the InChIKey of N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide?
The InChIKey is VQAGGWAUSKNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(20-19(25)16-9-6-10-16)18(24)21-17-11-12-23(22-17)14(2)15-7-4-3-5-8-15/h3-5,7-8,11-14,16H,6,9-10H2,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide?
N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71919085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).