1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea

C13H15N5O — CID 90359810

IUPAC1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cn(-c2cccnc2)nc1C
InChIInChI=1S/C13H15N5O/c1-3-6-15-13(19)16-12-9-18(17-10(12)2)11-5-4-7-14-8-11/h3-5,7-9H,1,6H2,2H3,(H2,15,16,19)
InChIKeyVRCDAZXLWRGSBI-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.88
Rot. Bonds4

About 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea

1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea (PubChem CID 90359810) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
PubChem CID90359810
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cn(-c2cccnc2)nc1C
InChIInChI=1S/C13H15N5O/c1-3-6-15-13(19)16-12-9-18(17-10(12)2)11-5-4-7-14-8-11/h3-5,7-9H,1,6H2,2H3,(H2,15,16,19)
InChIKeyVRCDAZXLWRGSBI-UHFFFAOYSA-N
XLogP1.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499762
N-(cyclopropylmethyl)-3-methyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499535
1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
CID 69260543
1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
CID 67108929
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-propan-2-ylsulfanylpropanamide
CID 123960951
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
CID 142766793

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea (CID 90359810) is 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1cn(-c2cccnc2)nc1C.
What is the InChIKey of 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
The InChIKey is VRCDAZXLWRGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-6-15-13(19)16-12-9-18(17-10(12)2)11-5-4-7-14-8-11/h3-5,7-9H,1,6H2,2H3,(H2,15,16,19).
What are the key properties of 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea has a molecular weight of 257.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea is sourced from PubChem (CID 90359810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).