1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea

C13H17N5O — CID 75514694

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C13H17N5O/c1-9-6-14-5-4-12(9)17-13(19)15-7-11-8-16-18(3)10(11)2/h4-6,8H,7H2,1-3H3,(H2,14,15,17,19)
InChIKeyUMXDHMJIOHEYIC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 75514694) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID75514694
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C13H17N5O/c1-9-6-14-5-4-12(9)17-13(19)15-7-11-8-16-18(3)10(11)2/h4-6,8H,7H2,1-3H3,(H2,14,15,17,19)
InChIKeyUMXDHMJIOHEYIC-UHFFFAOYSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106037408
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99833219
tert-butyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]benzoate
CID 122134451
1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75438221
1-(2-chloro-4-propan-2-yloxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99823736
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
1-(4,5-dichloro-2-pyridinyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 100666319

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea (CID 75514694) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea is Cc1cnccc1NC(=O)NCc1cnn(C)c1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is UMXDHMJIOHEYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-6-14-5-4-12(9)17-13(19)15-7-11-8-16-18(3)10(11)2/h4-6,8H,7H2,1-3H3,(H2,14,15,17,19).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 75514694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).