1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea

C11H13N5O — CID 166404732

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cn[nH]c2C)nc1
InChIInChI=1S/C11H13N5O/c1-7-3-4-10(12-5-7)15-11(17)14-9-6-13-16-8(9)2/h3-6H,1-2H3,(H,13,16)(H2,12,14,15,17)
InChIKeyBDAOGTGOEXNVGU-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.07
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea

1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 166404732) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID166404732
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cn[nH]c2C)nc1
InChIInChI=1S/C11H13N5O/c1-7-3-4-10(12-5-7)15-11(17)14-9-6-13-16-8(9)2/h3-6H,1-2H3,(H,13,16)(H2,12,14,15,17)
InChIKeyBDAOGTGOEXNVGU-UHFFFAOYSA-N
XLogP2.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate
CID 17087454
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
1-[4-(butylamino)phenyl]-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 166689610
1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
CID 18682339

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea (CID 166404732) is 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cn[nH]c2C)nc1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is BDAOGTGOEXNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-3-4-10(12-5-7)15-11(17)14-9-6-13-16-8(9)2/h3-6H,1-2H3,(H,13,16)(H2,12,14,15,17).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea?
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 231.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 166404732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).