2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea

C12H18N6O — CID 104732037

IUPAC2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
SMILESCC(C)c1cc2c(NCCNC(N)=O)nccn2n1
InChIInChI=1S/C12H18N6O/c1-8(2)9-7-10-11(14-3-4-16-12(13)19)15-5-6-18(10)17-9/h5-8H,3-4H2,1-2H3,(H,14,15)(H3,13,16,19)
InChIKeyIVNDDGZKWHIQRP-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.93
Rot. Bonds5

About 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea

2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea (PubChem CID 104732037) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
PubChem CID104732037
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
SMILESCC(C)c1cc2c(NCCNC(N)=O)nccn2n1
InChIInChI=1S/C12H18N6O/c1-8(2)9-7-10-11(14-3-4-16-12(13)19)15-5-6-18(10)17-9/h5-8H,3-4H2,1-2H3,(H,14,15)(H3,13,16,19)
InChIKeyIVNDDGZKWHIQRP-UHFFFAOYSA-N
XLogP0.93
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.93
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

5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
CID 104732050
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 104730960
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104730488
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea (CID 104732037) is 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea is CC(C)c1cc2c(NCCNC(N)=O)nccn2n1.
What is the InChIKey of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea?
The InChIKey is IVNDDGZKWHIQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)9-7-10-11(14-3-4-16-12(13)19)15-5-6-18(10)17-9/h5-8H,3-4H2,1-2H3,(H,14,15)(H3,13,16,19).
What are the key properties of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea?
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea has a molecular weight of 262.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea is sourced from PubChem (CID 104732037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).