1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea

C16H16N6O — CID 60615939

IUPAC1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1cccnc1)Nc1ccn(Cc2cccnc2)n1
InChIInChI=1S/C16H16N6O/c23-16(19-11-13-3-1-6-17-9-13)20-15-5-8-22(21-15)12-14-4-2-7-18-10-14/h1-10H,11-12H2,(H2,19,20,21,23)
InChIKeyIIDXBWJQMCSOBR-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.04
Rot. Bonds5

About 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea

1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea (PubChem CID 60615939) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
PubChem CID60615939
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1cccnc1)Nc1ccn(Cc2cccnc2)n1
InChIInChI=1S/C16H16N6O/c23-16(19-11-13-3-1-6-17-9-13)20-15-5-8-22(21-15)12-14-4-2-7-18-10-14/h1-10H,11-12H2,(H2,19,20,21,23)
InChIKeyIIDXBWJQMCSOBR-UHFFFAOYSA-N
XLogP2.04
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51101885
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626
3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
CID 47089669
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea (CID 60615939) is 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea is O=C(NCc1cccnc1)Nc1ccn(Cc2cccnc2)n1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is IIDXBWJQMCSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(19-11-13-3-1-6-17-9-13)20-15-5-8-22(21-15)12-14-4-2-7-18-10-14/h1-10H,11-12H2,(H2,19,20,21,23).
What are the key properties of 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 308.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 60615939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).