1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea

C14H17ClN4O2 — CID 35276225

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C14H17ClN4O2/c1-3-19-9-10(8-17-19)7-16-14(20)18-12-6-11(15)4-5-13(12)21-2/h4-6,8-9H,3,7H2,1-2H3,(H2,16,18,20)
InChIKeyLVMLALWHIQPRDU-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.89
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea (PubChem CID 35276225) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
PubChem CID35276225
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C14H17ClN4O2/c1-3-19-9-10(8-17-19)7-16-14(20)18-12-6-11(15)4-5-13(12)21-2/h4-6,8-9H,3,7H2,1-2H3,(H2,16,18,20)
InChIKeyLVMLALWHIQPRDU-UHFFFAOYSA-N
XLogP2.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 119105195
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830288
1-(3,4-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 17269510
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea (CID 35276225) is 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea is CCn1cc(CNC(=O)Nc2cc(Cl)ccc2OC)cn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
The InChIKey is LVMLALWHIQPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-19-9-10(8-17-19)7-16-14(20)18-12-6-11(15)4-5-13(12)21-2/h4-6,8-9H,3,7H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea has a molecular weight of 308.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 35276225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).