1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea

C12H14ClN5O — CID 166286412

IUPAC1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
SMILESCCc1cc(NC(=O)Nc2cnc(C)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H14ClN5O/c1-3-8-5-11(18-17-8)16-12(19)15-9-4-10(13)7(2)14-6-9/h4-6H,3H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyBVNWFUHDSIFMJS-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.97
Rot. Bonds3

About 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea

1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea (PubChem CID 166286412) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
PubChem CID166286412
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
SMILESCCc1cc(NC(=O)Nc2cnc(C)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H14ClN5O/c1-3-8-5-11(18-17-8)16-12(19)15-9-4-10(13)7(2)14-6-9/h4-6H,3H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyBVNWFUHDSIFMJS-UHFFFAOYSA-N
XLogP2.97
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440
3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616057
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea (CID 166286412) is 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea is CCc1cc(NC(=O)Nc2cnc(C)c(Cl)c2)n[nH]1.
What is the InChIKey of 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The InChIKey is BVNWFUHDSIFMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-3-8-5-11(18-17-8)16-12(19)15-9-4-10(13)7(2)14-6-9/h4-6H,3H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea has a molecular weight of 279.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 166286412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).