1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea

C13H15ClN4O — CID 19326785

IUPAC1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H15ClN4O/c1-2-18-9-10(8-16-18)7-15-13(19)17-12-5-3-4-11(14)6-12/h3-6,8-9H,2,7H2,1H3,(H2,15,17,19)
InChIKeyGSHVMIKOIDVEQZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.88
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea

1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea (PubChem CID 19326785) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
PubChem CID19326785
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H15ClN4O/c1-2-18-9-10(8-16-18)7-15-13(19)17-12-5-3-4-11(14)6-12/h3-6,8-9H,2,7H2,1H3,(H2,15,17,19)
InChIKeyGSHVMIKOIDVEQZ-UHFFFAOYSA-N
XLogP2.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 110775115
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
CID 72929033
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 53499866
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea (CID 19326785) is 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea is CCn1cc(CNC(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
The InChIKey is GSHVMIKOIDVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-18-9-10(8-16-18)7-15-13(19)17-12-5-3-4-11(14)6-12/h3-6,8-9H,2,7H2,1H3,(H2,15,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea has a molecular weight of 278.74 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 19326785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).