1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

C13H20N6O2 — CID 91649366

IUPAC1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)Nc2ccn(CCC(C)C)n2)n1
InChIInChI=1S/C13H20N6O2/c1-9(2)4-6-19-7-5-11(17-19)16-13(20)14-8-12-15-10(3)18-21-12/h5,7,9H,4,6,8H2,1-3H3,(H2,14,16,17,20)
InChIKeyQGJNDLKNURKVAI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.94
Rot. Bonds6

About 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 91649366) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID91649366
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)Nc2ccn(CCC(C)C)n2)n1
InChIInChI=1S/C13H20N6O2/c1-9(2)4-6-19-7-5-11(17-19)16-13(20)14-8-12-15-10(3)18-21-12/h5,7,9H,4,6,8H2,1-3H3,(H2,14,16,17,20)
InChIKeyQGJNDLKNURKVAI-UHFFFAOYSA-N
XLogP1.94
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Related Compounds

2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 146086539
(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 78977210
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 62074372
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 65227219
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 91649366) is 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1noc(CNC(=O)Nc2ccn(CCC(C)C)n2)n1.
What is the InChIKey of 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is QGJNDLKNURKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-9(2)4-6-19-7-5-11(17-19)16-13(20)14-8-12-15-10(3)18-21-12/h5,7,9H,4,6,8H2,1-3H3,(H2,14,16,17,20).
What are the key properties of 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 292.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 91649366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).