1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea

C16H19ClN4O2 — CID 71989889

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCn1cc(C(O)CNC(=O)NC2CC2c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H19ClN4O2/c1-21-9-11(7-19-21)15(22)8-18-16(23)20-14-6-13(14)10-3-2-4-12(17)5-10/h2-5,7,9,13-15,22H,6,8H2,1H3,(H2,18,20,23)
InChIKeyWKXIHHOFDJODJS-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea

1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 71989889) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID71989889
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCn1cc(C(O)CNC(=O)NC2CC2c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H19ClN4O2/c1-21-9-11(7-19-21)15(22)8-18-16(23)20-14-6-13(14)10-3-2-4-12(17)5-10/h2-5,7,9,13-15,22H,6,8H2,1H3,(H2,18,20,23)
InChIKeyWKXIHHOFDJODJS-UHFFFAOYSA-N
XLogP1.96
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea (CID 71989889) is 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea is Cn1cc(C(O)CNC(=O)NC2CC2c2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is WKXIHHOFDJODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-21-9-11(7-19-21)15(22)8-18-16(23)20-14-6-13(14)10-3-2-4-12(17)5-10/h2-5,7,9,13-15,22H,6,8H2,1H3,(H2,18,20,23).
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 334.81 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71989889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).