2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea

C10H19N5O2 — CID 113463419

IUPAC2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
SMILESCOc1c(CNCCNC(N)=O)c(C)nn1C
InChIInChI=1S/C10H19N5O2/c1-7-8(9(17-3)15(2)14-7)6-12-4-5-13-10(11)16/h12H,4-6H2,1-3H3,(H3,11,13,16)
InChIKeyMWYOKZFOXFCXSP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.50
Rot. Bonds6

About 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea (PubChem CID 113463419) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
PubChem CID113463419
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
SMILESCOc1c(CNCCNC(N)=O)c(C)nn1C
InChIInChI=1S/C10H19N5O2/c1-7-8(9(17-3)15(2)14-7)6-12-4-5-13-10(11)16/h12H,4-6H2,1-3H3,(H3,11,13,16)
InChIKeyMWYOKZFOXFCXSP-UHFFFAOYSA-N
XLogP-0.50
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115600667
N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 115600781
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604266
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702817
2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
CID 82660664
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea?
The IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea (CID 113463419) is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea is COc1c(CNCCNC(N)=O)c(C)nn1C.
What is the InChIKey of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea?
The InChIKey is MWYOKZFOXFCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7-8(9(17-3)15(2)14-7)6-12-4-5-13-10(11)16/h12H,4-6H2,1-3H3,(H3,11,13,16).
What are the key properties of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea?
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea has a molecular weight of 241.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea is sourced from PubChem (CID 113463419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).