1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C14H17ClN4O2 — CID 45147188

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C14H17ClN4O2/c1-9(10-7-16-19(2)8-10)17-14(20)18-12-6-11(15)4-5-13(12)21-3/h4-9H,1-3H3,(H2,17,18,20)
InChIKeyQOYCZWWMDYIIFQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 45147188) 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-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID45147188
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C14H17ClN4O2/c1-9(10-7-16-19(2)8-10)17-14(20)18-12-6-11(15)4-5-13(12)21-3/h4-9H,1-3H3,(H2,17,18,20)
InChIKeyQOYCZWWMDYIIFQ-UHFFFAOYSA-N
XLogP2.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 35276397
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CID 97101111
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-(5-chloro-2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
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CID 125130711
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
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CID 47033008
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 146129464
1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 45147188) is 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is QOYCZWWMDYIIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(10-7-16-19(2)8-10)17-14(20)18-12-6-11(15)4-5-13(12)21-3/h4-9H,1-3H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 308.77 g/mol, XLogP of 2.96, 4 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-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 45147188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).