1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea

C19H26N4O2 — CID 124841753

IUPAC1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
SMILESCOCCn1cc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cn1
InChIInChI=1S/C19H26N4O2/c1-13-4-5-16-9-14(2)18(17(16)8-13)22-19(24)20-10-15-11-21-23(12-15)6-7-25-3/h4-5,8,11-12,14,18H,6-7,9-10H2,1-3H3,(H2,20,22,24)/t14-,18-/m1/s1
InChIKeyBAQMBBIOAAVAIA-RDTXWAMCSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds6

About 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea

1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea (PubChem CID 124841753) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
PubChem CID124841753
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
SMILESCOCCn1cc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cn1
InChIInChI=1S/C19H26N4O2/c1-13-4-5-16-9-14(2)18(17(16)8-13)22-19(24)20-10-15-11-21-23(12-15)6-7-25-3/h4-5,8,11-12,14,18H,6-7,9-10H2,1-3H3,(H2,20,22,24)/t14-,18-/m1/s1
InChIKeyBAQMBBIOAAVAIA-RDTXWAMCSA-N
XLogP2.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 75475378
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CID 110024695
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 100729075
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea
CID 131960916
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 122159516
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
tert-butyl (4S,5R)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-5-methylazepane-1-carboxylate
CID 100622397
methyl (2R,3R)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxylate
CID 99963832
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120972743
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The IUPAC name of 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea (CID 124841753) is 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The canonical SMILES for 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea is COCCn1cc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cn1.
What is the InChIKey of 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The InChIKey is BAQMBBIOAAVAIA-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-4-5-16-9-14(2)18(17(16)8-13)22-19(24)20-10-15-11-21-23(12-15)6-7-25-3/h4-5,8,11-12,14,18H,6-7,9-10H2,1-3H3,(H2,20,22,24)/t14-,18-/m1/s1.
What are the key properties of 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea is sourced from PubChem (CID 124841753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).