1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea

C14H17ClN4O2 — CID 71992450

IUPAC1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCC(CNC(=O)Nc1ccn(C)n1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O2/c1-10(21-12-5-3-11(15)4-6-12)9-16-14(20)17-13-7-8-19(2)18-13/h3-8,10H,9H2,1-2H3,(H2,16,17,18,20)
InChIKeyHXJSYDGCBNJYCG-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea

1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 71992450) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID71992450
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCC(CNC(=O)Nc1ccn(C)n1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O2/c1-10(21-12-5-3-11(15)4-6-12)9-16-14(20)17-13-7-8-19(2)18-13/h3-8,10H,9H2,1-2H3,(H2,16,17,18,20)
InChIKeyHXJSYDGCBNJYCG-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 7638240
3-[2-(4-chlorophenoxy)propylcarbamoylamino]propanoic acid
CID 122004324
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea (CID 71992450) is 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea is CC(CNC(=O)Nc1ccn(C)n1)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is HXJSYDGCBNJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-10(21-12-5-3-11(15)4-6-12)9-16-14(20)17-13-7-8-19(2)18-13/h3-8,10H,9H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea?
1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 308.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 71992450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).