3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide

C19H24N4O — CID 118304644

IUPAC3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCC3)c2)n(C)n1
InChIInChI=1S/C19H24N4O/c1-12-9-18(23(2)22-12)21-19(24)14-6-3-5-13(10-14)16-11-17(16)20-15-7-4-8-15/h3,5-6,9-10,15-17,20H,4,7-8,11H2,1-2H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyFXCOYOAYFPNSJT-DLBZAZTESA-N
MW324.43 g/mol
LogP2.98
Rot. Bonds5

About 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide

3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 118304644) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID118304644
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCC3)c2)n(C)n1
InChIInChI=1S/C19H24N4O/c1-12-9-18(23(2)22-12)21-19(24)14-6-3-5-13(10-14)16-11-17(16)20-15-7-4-8-15/h3,5-6,9-10,15-17,20H,4,7-8,11H2,1-2H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyFXCOYOAYFPNSJT-DLBZAZTESA-N
XLogP2.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide;dihydrochloride
CID 118304267
4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 118433148
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
CID 118433227
3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]-N-(4-pyrimidin-2-ylphenyl)benzamide
CID 118304197
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]-N-(4-pyrimidin-2-ylphenyl)benzamide;dihydrochloride
CID 118304196
(E)-but-2-enedioic acid;N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304676
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118305093
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147506241
trans-(1R,2R)-2-(3-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94816452
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305020

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 118304644) is 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCC3)c2)n(C)n1.
What is the InChIKey of 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is FXCOYOAYFPNSJT-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-9-18(23(2)22-12)21-19(24)14-6-3-5-13(10-14)16-11-17(16)20-15-7-4-8-15/h3,5-6,9-10,15-17,20H,4,7-8,11H2,1-2H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 118304644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).