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

C9H17N5O — CID 83110053

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
SMILESCc1c(CNCCNC(N)=O)cnn1C
InChIInChI=1S/C9H17N5O/c1-7-8(6-13-14(7)2)5-11-3-4-12-9(10)15/h6,11H,3-5H2,1-2H3,(H3,10,12,15)
InChIKeyVFDZXZIERUUDJO-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.51
Rot. Bonds5

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

2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea (PubChem CID 83110053) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
PubChem CID83110053
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
SMILESCc1c(CNCCNC(N)=O)cnn1C
InChIInChI=1S/C9H17N5O/c1-7-8(6-13-14(7)2)5-11-3-4-12-9(10)15/h6,11H,3-5H2,1-2H3,(H3,10,12,15)
InChIKeyVFDZXZIERUUDJO-UHFFFAOYSA-N
XLogP-0.51
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 114138993

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea (CID 83110053) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea is Cc1c(CNCCNC(N)=O)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea?
The InChIKey is VFDZXZIERUUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7-8(6-13-14(7)2)5-11-3-4-12-9(10)15/h6,11H,3-5H2,1-2H3,(H3,10,12,15).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea has a molecular weight of 211.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea is sourced from PubChem (CID 83110053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).