1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea

C13H17N5O — CID 75438221

IUPAC1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESCc1cnccc1NC(=O)NCCCn1cccn1
InChIInChI=1S/C13H17N5O/c1-11-10-14-7-4-12(11)17-13(19)15-5-2-8-18-9-3-6-16-18/h3-4,6-7,9-10H,2,5,8H2,1H3,(H2,14,15,17,19)
InChIKeyXKGXTMCMEVLWJI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds5

About 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea

1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 75438221) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID75438221
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESCc1cnccc1NC(=O)NCCCn1cccn1
InChIInChI=1S/C13H17N5O/c1-11-10-14-7-4-12(11)17-13(19)15-5-2-8-18-9-3-6-16-18/h3-4,6-7,9-10H,2,5,8H2,1H3,(H2,14,15,17,19)
InChIKeyXKGXTMCMEVLWJI-UHFFFAOYSA-N
XLogP1.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
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-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 71860456
1-(5-chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47199081
1-(3-pyrazol-1-ylpropyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010339
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
CID 75514694
1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75456115
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55696278
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
CID 75438227
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea (CID 75438221) is 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea is Cc1cnccc1NC(=O)NCCCn1cccn1.
What is the InChIKey of 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is XKGXTMCMEVLWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-11-10-14-7-4-12(11)17-13(19)15-5-2-8-18-9-3-6-16-18/h3-4,6-7,9-10H,2,5,8H2,1H3,(H2,14,15,17,19).
What are the key properties of 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 75438221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).