3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea

C12H24N6O — CID 83116434

IUPAC3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea
SMILESCC(C)c1nn(C)c(NCCNC(=O)N(C)C)c1N
InChIInChI=1S/C12H24N6O/c1-8(2)10-9(13)11(18(5)16-10)14-6-7-15-12(19)17(3)4/h8,14H,6-7,13H2,1-5H3,(H,15,19)
InChIKeyCGPQCBFUHYSTCT-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.81
Rot. Bonds5

About 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea

3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83116434) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea
PubChem CID83116434
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea
SMILESCC(C)c1nn(C)c(NCCNC(=O)N(C)C)c1N
InChIInChI=1S/C12H24N6O/c1-8(2)10-9(13)11(18(5)16-10)14-6-7-15-12(19)17(3)4/h8,14H,6-7,13H2,1-5H3,(H,15,19)
InChIKeyCGPQCBFUHYSTCT-UHFFFAOYSA-N
XLogP0.81
TPSA88.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.81
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-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
CID 66018194
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
CID 114146037
4-amino-N,N,1-trimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 20549829
5-N-(3-ethylsulfanylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114247802
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea
CID 83116801
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 104758808
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
CID 66012143

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea (CID 83116434) is 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea is CC(C)c1nn(C)c(NCCNC(=O)N(C)C)c1N.
What is the InChIKey of 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is CGPQCBFUHYSTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-8(2)10-9(13)11(18(5)16-10)14-6-7-15-12(19)17(3)4/h8,14H,6-7,13H2,1-5H3,(H,15,19).
What are the key properties of 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 268.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).