1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

C17H20N4O — CID 97010008

IUPAC1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESCn1cc(NC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cn1
InChIInChI=1S/C17H20N4O/c1-21-11-14(10-19-21)20-16(22)18-9-13-8-17(13)7-6-12-4-2-3-5-15(12)17/h2-5,10-11,13H,6-9H2,1H3,(H2,18,20,22)/t13-,17-/m0/s1
InChIKeyGMRAYHNEFQZBEX-GUYCJALGSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 97010008) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID97010008
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESCn1cc(NC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cn1
InChIInChI=1S/C17H20N4O/c1-21-11-14(10-19-21)20-16(22)18-9-13-8-17(13)7-6-12-4-2-3-5-15(12)17/h2-5,10-11,13H,6-9H2,1H3,(H2,18,20,22)/t13-,17-/m0/s1
InChIKeyGMRAYHNEFQZBEX-GUYCJALGSA-N
XLogP2.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97159119
1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97066420
1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea
CID 97222883
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
1-(1-methyl-2-oxo-3-pyridinyl)-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 97225811
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97050818
1-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97050816
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 124841179
1-(1-propanoylpyrrolidin-3-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
CID 86769618
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100592197

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (CID 97010008) is 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is Cn1cc(NC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is GMRAYHNEFQZBEX-GUYCJALGSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21-11-14(10-19-21)20-16(22)18-9-13-8-17(13)7-6-12-4-2-3-5-15(12)17/h2-5,10-11,13H,6-9H2,1H3,(H2,18,20,22)/t13-,17-/m0/s1.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea has a molecular weight of 296.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 97010008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).