1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea

C20H20N4O2 — CID 95266877

IUPAC1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H20N4O2/c25-20(23-18-10-13-26-19-5-2-1-4-17(18)19)22-16-8-6-15(7-9-16)14-24-12-3-11-21-24/h1-9,11-12,18H,10,13-14H2,(H2,22,23,25)/t18-/m0/s1
InChIKeyRDARNJOGSVXOIG-SFHVURJKSA-N
MW348.41 g/mol
LogP3.58
Rot. Bonds4

About 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 95266877) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID95266877
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H20N4O2/c25-20(23-18-10-13-26-19-5-2-1-4-17(18)19)22-16-8-6-15(7-9-16)14-24-12-3-11-21-24/h1-9,11-12,18H,10,13-14H2,(H2,22,23,25)/t18-/m0/s1
InChIKeyRDARNJOGSVXOIG-SFHVURJKSA-N
XLogP3.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 96508404
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 119140884
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 41041775

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (CID 95266877) is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is O=C(Nc1ccc(Cn2cccn2)cc1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is RDARNJOGSVXOIG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(23-18-10-13-26-19-5-2-1-4-17(18)19)22-16-8-6-15(7-9-16)14-24-12-3-11-21-24/h1-9,11-12,18H,10,13-14H2,(H2,22,23,25)/t18-/m0/s1.
What are the key properties of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 95266877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).