N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide

C23H24N4O — CID 56915580

IUPACN-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(N[C@H]1CC[C@H]1NC1Cc2ccccc2C1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C23H24N4O/c28-23(18-7-3-8-20(15-18)27-12-4-11-24-27)26-22-10-9-21(22)25-19-13-16-5-1-2-6-17(16)14-19/h1-8,11-12,15,19,21-22,25H,9-10,13-14H2,(H,26,28)/t21-,22+/m1/s1
InChIKeyAVVTZCAOEHWDRE-YADHBBJMSA-N
MW372.47 g/mol
LogP2.89
Rot. Bonds5

About N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide

N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide (PubChem CID 56915580) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide
PubChem CID56915580
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(N[C@H]1CC[C@H]1NC1Cc2ccccc2C1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C23H24N4O/c28-23(18-7-3-8-20(15-18)27-12-4-11-24-27)26-22-10-9-21(22)25-19-13-16-5-1-2-6-17(16)14-19/h1-8,11-12,15,19,21-22,25H,9-10,13-14H2,(H,26,28)/t21-,22+/m1/s1
InChIKeyAVVTZCAOEHWDRE-YADHBBJMSA-N
XLogP2.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide (CID 56915580) is N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide is O=C(N[C@H]1CC[C@H]1NC1Cc2ccccc2C1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is AVVTZCAOEHWDRE-YADHBBJMSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(18-7-3-8-20(15-18)27-12-4-11-24-27)26-22-10-9-21(22)25-19-13-16-5-1-2-6-17(16)14-19/h1-8,11-12,15,19,21-22,25H,9-10,13-14H2,(H,26,28)/t21-,22+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide?
N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 56915580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).