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

C20H26N4O — CID 97159119

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESCCc1nn(C)cc1CNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C20H26N4O/c1-3-18-15(13-24(2)23-18)11-21-19(25)22-12-16-10-20(16)9-8-14-6-4-5-7-17(14)20/h4-7,13,16H,3,8-12H2,1-2H3,(H2,21,22,25)/t16-,20+/m0/s1
InChIKeyWRVQGCYLDAUEEX-OXJNMPFZSA-N
MW338.46 g/mol
LogP2.69
Rot. Bonds5

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

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 97159119) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID97159119
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESCCc1nn(C)cc1CNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C20H26N4O/c1-3-18-15(13-24(2)23-18)11-21-19(25)22-12-16-10-20(16)9-8-14-6-4-5-7-17(14)20/h4-7,13,16H,3,8-12H2,1-2H3,(H2,21,22,25)/t16-,20+/m0/s1
InChIKeyWRVQGCYLDAUEEX-OXJNMPFZSA-N
XLogP2.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97010008
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-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
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'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
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
1-(1-propanoylpyrrolidin-3-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
CID 86769618

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 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) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is CCc1nn(C)cc1CNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is WRVQGCYLDAUEEX-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-18-15(13-24(2)23-18)11-21-19(25)22-12-16-10-20(16)9-8-14-6-4-5-7-17(14)20/h4-7,13,16H,3,8-12H2,1-2H3,(H2,21,22,25)/t16-,20+/m0/s1.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea has a molecular weight of 338.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 97159119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).