N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide

C26H23N3O2 — CID 92772032

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)[nH]n2)c1
InChIInChI=1S/C26H23N3O2/c1-31-21-7-4-6-20(15-21)25-16-24(28-29-25)18-9-11-19(12-10-18)26(30)27-23-14-13-17-5-2-3-8-22(17)23/h2-12,15-16,23H,13-14H2,1H3,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKeyMTSQNWSMKLLWCV-QHCPKHFHSA-N
MW409.49 g/mol
LogP5.17
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 92772032) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID92772032
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)[nH]n2)c1
InChIInChI=1S/C26H23N3O2/c1-31-21-7-4-6-20(15-21)25-16-24(28-29-25)18-9-11-19(12-10-18)26(30)27-23-14-13-17-5-2-3-8-22(17)23/h2-12,15-16,23H,13-14H2,1H3,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKeyMTSQNWSMKLLWCV-QHCPKHFHSA-N
XLogP5.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92773243
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 126802489
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92882436
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97110219
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride
CID 139945135
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (CID 92772032) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)[nH]n2)c1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is MTSQNWSMKLLWCV-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-31-21-7-4-6-20(15-21)25-16-24(28-29-25)18-9-11-19(12-10-18)26(30)27-23-14-13-17-5-2-3-8-22(17)23/h2-12,15-16,23H,13-14H2,1H3,(H,27,30)(H,28,29)/t23-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 92772032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).