3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea

C16H20N6O2 — CID 137250692

IUPAC3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea
SMILES[H]/N=N/N(C)C(=O)Nc1n[nH]c(C2CC2)c1COc1ccccc1C
InChIInChI=1S/C16H20N6O2/c1-10-5-3-4-6-13(10)24-9-12-14(11-7-8-11)19-20-15(12)18-16(23)22(2)21-17/h3-6,11,17H,7-9H2,1-2H3,(H2,18,19,20,23)/b21-17+
InChIKeyBZEYSDVEFJUHIX-HEHNFIMWSA-N
MW328.38 g/mol
LogP3.58
Rot. Bonds6

About 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea

3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea (PubChem CID 137250692) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea
PubChem CID137250692
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea
SMILES[H]/N=N/N(C)C(=O)Nc1n[nH]c(C2CC2)c1COc1ccccc1C
InChIInChI=1S/C16H20N6O2/c1-10-5-3-4-6-13(10)24-9-12-14(11-7-8-11)19-20-15(12)18-16(23)22(2)21-17/h3-6,11,17H,7-9H2,1-2H3,(H2,18,19,20,23)/b21-17+
InChIKeyBZEYSDVEFJUHIX-HEHNFIMWSA-N
XLogP3.58
TPSA106.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-4-[(2-methylphenoxy)methyl]furan-3-yl]-3-diazenylurea
CID 137250725
N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
CID 90192878
3-[3-chloro-2-[[4-(4-ethylpyrimidin-2-yl)-2-methylphenoxy]methyl]phenyl]-1-diazenyl-1-methylurea
CID 147688565
1-amino-1-methyl-3-[2-[(2-methylphenoxy)methyl]-3-methylsulfanylphenyl]urea
CID 144597668
1-amino-1-methyl-3-[2-[(2-methylphenoxy)methyl]-3-methylsulfanylphenyl]urea;azane
CID 144597667
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
(2R)-N-cyclopropyl-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8634877
lithium 2-(2-methylphenoxy)acetate
CID 19205696
sodium 2-(2-methylphenoxy)acetate
CID 23664336
N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 71874447
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 94158151

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea?
The IUPAC name of 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea (CID 137250692) is 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea.
What is the SMILES notation for 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea?
The canonical SMILES for 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea is [H]/N=N/N(C)C(=O)Nc1n[nH]c(C2CC2)c1COc1ccccc1C.
What is the InChIKey of 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea?
The InChIKey is BZEYSDVEFJUHIX-HEHNFIMWSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-5-3-4-6-13(10)24-9-12-14(11-7-8-11)19-20-15(12)18-16(23)22(2)21-17/h3-6,11,17H,7-9H2,1-2H3,(H2,18,19,20,23)/b21-17+.
What are the key properties of 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea?
3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea has a molecular weight of 328.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea is sourced from PubChem (CID 137250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).