1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C15H20N4O3S — CID 72872817

IUPAC1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCC(C)S(=O)(=O)CCNC(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C15H20N4O3S/c1-11(2)23(21,22)8-7-16-15(20)19-14-5-3-12(4-6-14)13-9-17-18-10-13/h3-6,9-11H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyOSEHUUGLBAPQQZ-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.02
Rot. Bonds6

About 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 72872817) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID72872817
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCC(C)S(=O)(=O)CCNC(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C15H20N4O3S/c1-11(2)23(21,22)8-7-16-15(20)19-14-5-3-12(4-6-14)13-9-17-18-10-13/h3-6,9-11H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyOSEHUUGLBAPQQZ-UHFFFAOYSA-N
XLogP2.02
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea
CID 72838907
1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68520643
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
2-(dimethylamino)-N-[3-[[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]methyl]phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 117077825
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425585
2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 153113467
3-amino-2-azido-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide;dihydrochloride
CID 156562844
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 72872817) is 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is CC(C)S(=O)(=O)CCNC(=O)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is OSEHUUGLBAPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11(2)23(21,22)8-7-16-15(20)19-14-5-3-12(4-6-14)13-9-17-18-10-13/h3-6,9-11H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 336.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 72872817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).