N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C18H18N4O2 — CID 84595206

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1-n1cccc1
InChIInChI=1S/C18H18N4O2/c1-21-18(22-8-4-5-9-22)14(11-19-21)17(24)20-16-13-7-3-2-6-12(13)10-15(16)23/h2-9,11,15-16,23H,10H2,1H3,(H,20,24)/t15-,16+/m0/s1
InChIKeyAUPGNPJWYCPGSJ-JKSUJKDBSA-N
MW322.37 g/mol
LogP1.60
Rot. Bonds3

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 84595206) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID84595206
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1-n1cccc1
InChIInChI=1S/C18H18N4O2/c1-21-18(22-8-4-5-9-22)14(11-19-21)17(24)20-16-13-7-3-2-6-12(13)10-15(16)23/h2-9,11,15-16,23H,10H2,1H3,(H,20,24)/t15-,16+/m0/s1
InChIKeyAUPGNPJWYCPGSJ-JKSUJKDBSA-N
XLogP1.60
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111696391
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide
CID 75470175
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 61367776
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
3-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 99842360
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
CID 102739009
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111658866
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 84595206) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1-n1cccc1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is AUPGNPJWYCPGSJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-18(22-8-4-5-9-22)14(11-19-21)17(24)20-16-13-7-3-2-6-12(13)10-15(16)23/h2-9,11,15-16,23H,10H2,1H3,(H,20,24)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 84595206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).