1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

C8H14N4O — CID 104693382

IUPAC1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCNC(=O)NCCc1ccnn1C
InChIInChI=1S/C8H14N4O/c1-9-8(13)10-5-3-7-4-6-11-12(7)2/h4,6H,3,5H2,1-2H3,(H2,9,10,13)
InChIKeySXSIXDWINQAXST-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.11
Rot. Bonds3

About 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 104693382) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID104693382
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCNC(=O)NCCc1ccnn1C
InChIInChI=1S/C8H14N4O/c1-9-8(13)10-5-3-7-4-6-11-12(7)2/h4,6H,3,5H2,1-2H3,(H2,9,10,13)
InChIKeySXSIXDWINQAXST-UHFFFAOYSA-N
XLogP-0.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
CID 130987883
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 104693382) is 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is CNC(=O)NCCc1ccnn1C.
What is the InChIKey of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is SXSIXDWINQAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-9-8(13)10-5-3-7-4-6-11-12(7)2/h4,6H,3,5H2,1-2H3,(H2,9,10,13).
What are the key properties of 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 182.23 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 104693382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).