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

C20H22N4O — CID 68520643

IUPAC1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C20H22N4O/c1-15(2)24(14-16-6-4-3-5-7-16)20(25)23-19-10-8-17(9-11-19)18-12-21-22-13-18/h3-13,15H,14H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyLFGPPSFNJYTRRE-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.52
Rot. Bonds5

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

1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68520643) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68520643
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C20H22N4O/c1-15(2)24(14-16-6-4-3-5-7-16)20(25)23-19-10-8-17(9-11-19)18-12-21-22-13-18/h3-13,15H,14H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyLFGPPSFNJYTRRE-UHFFFAOYSA-N
XLogP4.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565003
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-methyl-1-[(3-propan-2-yloxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 117077809
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
1-ethanimidoyl-1-(1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 146418340
1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-1-propan-2-ylurea;2,2,2-trifluoroacetic acid
CID 117077804
1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 72872817
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-methylphenyl)-1-propan-2-ylurea
CID 3996330
1-benzyl-3-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1-propan-2-ylurea
CID 108873183
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68520643) is 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is LFGPPSFNJYTRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(2)24(14-16-6-4-3-5-7-16)20(25)23-19-10-8-17(9-11-19)18-12-21-22-13-18/h3-13,15H,14H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 334.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68520643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).