1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea

C14H17ClN4O2 — CID 51085499

IUPAC1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H17ClN4O2/c1-21-10-4-7-16-14(20)18-12-6-2-5-11(15)13(12)19-9-3-8-17-19/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,16,18,20)
InChIKeyRJFGWQDGCJQDQK-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.68
Rot. Bonds6

About 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea

1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea (PubChem CID 51085499) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
PubChem CID51085499
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H17ClN4O2/c1-21-10-4-7-16-14(20)18-12-6-2-5-11(15)13(12)19-9-3-8-17-19/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,16,18,20)
InChIKeyRJFGWQDGCJQDQK-UHFFFAOYSA-N
XLogP2.68
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293
1-(2-Methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea
CID 47040895
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49279405
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-3-(2-pyrazol-1-ylphenyl)urea
CID 53520288
4-(3-chlorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56761915
3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide
CID 56814570
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864259
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(1-methylpiperidin-4-yl)urea
CID 72000962
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 72000963
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 72000974
3-[[1-(2-chlorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
CID 72127263
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea
CID 75407713

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea (CID 51085499) is 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea?
The InChIKey is RJFGWQDGCJQDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-21-10-4-7-16-14(20)18-12-6-2-5-11(15)13(12)19-9-3-8-17-19/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,16,18,20).
What are the key properties of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea?
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea has a molecular weight of 308.77 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 51085499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).