N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

C20H19N3O — CID 95795147

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O/c1-13-6-8-15(9-7-13)19-17(12-21-23-19)20(24)22-18-11-10-14-4-2-3-5-16(14)18/h2-9,12,18H,10-11H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyDCYFZXLVLLSGNN-GOSISDBHSA-N
MW317.39 g/mol
LogP3.80
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 95795147) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID95795147
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O/c1-13-6-8-15(9-7-13)19-17(12-21-23-19)20(24)22-18-11-10-14-4-2-3-5-16(14)18/h2-9,12,18H,10-11H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyDCYFZXLVLLSGNN-GOSISDBHSA-N
XLogP3.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824293
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 99642803
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86913987
N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 46207514
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (CID 95795147) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DCYFZXLVLLSGNN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-6-8-15(9-7-13)19-17(12-21-23-19)20(24)22-18-11-10-14-4-2-3-5-16(14)18/h2-9,12,18H,10-11H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95795147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).