N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide

C19H18N4O — CID 74244794

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESN[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O/c20-18-16-9-5-4-6-13(16)10-17(18)22-19(24)14-11-21-23(12-14)15-7-2-1-3-8-15/h1-9,11-12,17-18H,10,20H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyZPKFZKOAXHOQEJ-ROUUACIJSA-N
MW318.38 g/mol
LogP2.23
Rot. Bonds3

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 74244794) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID74244794
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESN[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O/c20-18-16-9-5-4-6-13(16)10-17(18)22-19(24)14-11-21-23(12-14)15-7-2-1-3-8-15/h1-9,11-12,17-18H,10,20H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyZPKFZKOAXHOQEJ-ROUUACIJSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
CID 80661828
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-cyclopropyl-6-oxopyridine-3-carboxamide
CID 138011361
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
CID 138011380
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
CID 27650301
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide (CID 74244794) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide is N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZPKFZKOAXHOQEJ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H18N4O/c20-18-16-9-5-4-6-13(16)10-17(18)22-19(24)14-11-21-23(12-14)15-7-2-1-3-8-15/h1-9,11-12,17-18H,10,20H2,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 74244794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).