1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

C20H19ClN4O — CID 86966975

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1cccc(-n2cccn2)c1)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN4O/c21-16-6-7-18-15(12-16)5-8-19(18)24-20(26)22-13-14-3-1-4-17(11-14)25-10-2-9-23-25/h1-4,6-7,9-12,19H,5,8,13H2,(H2,22,24,26)
InChIKeyLORCIHMPAWQQMV-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.01
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 86966975) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
PubChem CID86966975
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1cccc(-n2cccn2)c1)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN4O/c21-16-6-7-18-15(12-16)5-8-19(18)24-20(26)22-13-14-3-1-4-17(11-14)25-10-2-9-23-25/h1-4,6-7,9-12,19H,5,8,13H2,(H2,22,24,26)
InChIKeyLORCIHMPAWQQMV-UHFFFAOYSA-N
XLogP4.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea with MolForge

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Related Compounds

1-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-(pyridin-2-ylmethyl)urea
CID 94594424
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966924
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 71861150
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505258
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 86965050
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29183806
2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111794745
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 97016691
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71886534
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (CID 86966975) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is O=C(NCc1cccc(-n2cccn2)c1)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is LORCIHMPAWQQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-6-7-18-15(12-16)5-8-19(18)24-20(26)22-13-14-3-1-4-17(11-14)25-10-2-9-23-25/h1-4,6-7,9-12,19H,5,8,13H2,(H2,22,24,26).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 366.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 86966975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).