(1,5-dimethylpyrazol-3-yl)methoxyurea

C7H12N4O2 — CID 130610404

IUPAC(1,5-dimethylpyrazol-3-yl)methoxyurea
SMILESCc1cc(CONC(N)=O)nn1C
InChIInChI=1S/C7H12N4O2/c1-5-3-6(9-11(5)2)4-13-10-7(8)12/h3H,4H2,1-2H3,(H3,8,10,12)
InChIKeyKFVZKXIPGDSSNH-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.17
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)methoxyurea

(1,5-dimethylpyrazol-3-yl)methoxyurea (PubChem CID 130610404) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)methoxyurea.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)methoxyurea
PubChem CID130610404
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name(1,5-dimethylpyrazol-3-yl)methoxyurea
SMILESCc1cc(CONC(N)=O)nn1C
InChIInChI=1S/C7H12N4O2/c1-5-3-6(9-11(5)2)4-13-10-7(8)12/h3H,4H2,1-2H3,(H3,8,10,12)
InChIKeyKFVZKXIPGDSSNH-UHFFFAOYSA-N
XLogP-0.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate
CID 86175486
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
CID 45157159
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methylhydroxylamine
CID 82595635
3-(iodomethyl)-1,5-dimethylpyrazole
CID 90127080
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole
CID 82087546
1-(1,5-dimethylpyrazol-3-yl)hexan-2-one
CID 58269992
1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine
CID 82597537
5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
CID 134569016
2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
CID 19329071
2-(1,5-dimethylpyrazol-3-yl)ethyl formate
CID 90049420

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)methoxyurea?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)methoxyurea (CID 130610404) is (1,5-dimethylpyrazol-3-yl)methoxyurea.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)methoxyurea?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)methoxyurea is Cc1cc(CONC(N)=O)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)methoxyurea?
The InChIKey is KFVZKXIPGDSSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-3-6(9-11(5)2)4-13-10-7(8)12/h3H,4H2,1-2H3,(H3,8,10,12).
What are the key properties of (1,5-dimethylpyrazol-3-yl)methoxyurea?
(1,5-dimethylpyrazol-3-yl)methoxyurea has a molecular weight of 184.20 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)methoxyurea is sourced from PubChem (CID 130610404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).