1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

C13H16ClN5O — CID 60590220

IUPAC1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H16ClN5O/c1-9-10(8-17-19-9)4-2-7-16-13(20)18-11-5-3-6-15-12(11)14/h3,5-6,8H,2,4,7H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyLKBKOIHBUVJCTH-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.52
Rot. Bonds5

About 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (PubChem CID 60590220) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
PubChem CID60590220
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H16ClN5O/c1-9-10(8-17-19-9)4-2-7-16-13(20)18-11-5-3-6-15-12(11)14/h3,5-6,8H,2,4,7H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyLKBKOIHBUVJCTH-UHFFFAOYSA-N
XLogP2.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 62040735
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
1-(4-cyanophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 34695025
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
CID 108882793
1-(2-chloro-3-pyridinyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111486854

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (CID 60590220) is 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is Cc1[nH]ncc1CCCNC(=O)Nc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The InChIKey is LKBKOIHBUVJCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9-10(8-17-19-9)4-2-7-16-13(20)18-11-5-3-6-15-12(11)14/h3,5-6,8H,2,4,7H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea has a molecular weight of 293.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is sourced from PubChem (CID 60590220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).