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

C12H17N5O2 — CID 104732050

IUPAC2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
SMILESCC(C)c1cc2c(NCCOC(N)=O)nccn2n1
InChIInChI=1S/C12H17N5O2/c1-8(2)9-7-10-11(14-3-5-17(10)16-9)15-4-6-19-12(13)18/h3,5,7-8H,4,6H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyQHIDWEYPNQNCOF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.36
Rot. Bonds5

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

2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate (PubChem CID 104732050) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
PubChem CID104732050
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
SMILESCC(C)c1cc2c(NCCOC(N)=O)nccn2n1
InChIInChI=1S/C12H17N5O2/c1-8(2)9-7-10-11(14-3-5-17(10)16-9)15-4-6-19-12(13)18/h3,5,7-8H,4,6H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyQHIDWEYPNQNCOF-UHFFFAOYSA-N
XLogP1.36
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
N-(2-ethoxyethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730730
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
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
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 104730960
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate (CID 104732050) is 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate is CC(C)c1cc2c(NCCOC(N)=O)nccn2n1.
What is the InChIKey of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate?
The InChIKey is QHIDWEYPNQNCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)9-7-10-11(14-3-5-17(10)16-9)15-4-6-19-12(13)18/h3,5,7-8H,4,6H2,1-2H3,(H2,13,18)(H,14,15).
What are the key properties of 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate?
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 104732050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).