N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide

C17H22N4O — CID 70784279

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)n(C)n1
InChIInChI=1S/C17H22N4O/c1-3-6-12-10-15(21(2)20-12)17(22)19-14-9-11-7-4-5-8-13(11)16(14)18/h4-5,7-8,10,14,16H,3,6,9,18H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyHAQUEXHXXKVCNU-HOCLYGCPSA-N
MW298.39 g/mol
LogP1.73
Rot. Bonds4

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 70784279) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID70784279
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)n(C)n1
InChIInChI=1S/C17H22N4O/c1-3-6-12-10-15(21(2)20-12)17(22)19-14-9-11-7-4-5-8-13(11)16(14)18/h4-5,7-8,10,14,16H,3,6,9,18H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyHAQUEXHXXKVCNU-HOCLYGCPSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 70784279) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)n(C)n1.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is HAQUEXHXXKVCNU-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-6-12-10-15(21(2)20-12)17(22)19-14-9-11-7-4-5-8-13(11)16(14)18/h4-5,7-8,10,14,16H,3,6,9,18H2,1-2H3,(H,19,22)/t14-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.73, 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]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70784279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).