N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride

C16H21ClN4O — CID 154901298

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
SMILESCl.Cn1cc(CCC(=O)N[C@H]2Cc3ccccc3[C@@H]2N)cn1
InChIInChI=1S/C16H20N4O.ClH/c1-20-10-11(9-18-20)6-7-15(21)19-14-8-12-4-2-3-5-13(12)16(14)17;/h2-5,9-10,14,16H,6-8,17H2,1H3,(H,19,21);1H/t14-,16-;/m0./s1
InChIKeyRZUPDOMSSRGCPE-DMLYUBSXSA-N
MW320.82 g/mol
LogP1.52
Rot. Bonds4

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride (PubChem CID 154901298) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
PubChem CID154901298
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
SMILESCl.Cn1cc(CCC(=O)N[C@H]2Cc3ccccc3[C@@H]2N)cn1
InChIInChI=1S/C16H20N4O.ClH/c1-20-10-11(9-18-20)6-7-15(21)19-14-8-12-4-2-3-5-13(12)16(14)17;/h2-5,9-10,14,16H,6-8,17H2,1H3,(H,19,21);1H/t14-,16-;/m0./s1
InChIKeyRZUPDOMSSRGCPE-DMLYUBSXSA-N
XLogP1.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
CID 124744031
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-methyl-3-pyridinyl)acetamide
CID 138049844
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 138011362
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
CID 154577752
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
CID 74244794
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 71976301
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70784279

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride (CID 154901298) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride is Cl.Cn1cc(CCC(=O)N[C@H]2Cc3ccccc3[C@@H]2N)cn1.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride?
The InChIKey is RZUPDOMSSRGCPE-DMLYUBSXSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-20-10-11(9-18-20)6-7-15(21)19-14-8-12-4-2-3-5-13(12)16(14)17;/h2-5,9-10,14,16H,6-8,17H2,1H3,(H,19,21);1H/t14-,16-;/m0./s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 1.52, 4 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]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 154901298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).