N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine

C14H23N5 — CID 104730523

IUPACN',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc2c(NCCCN(C)C)nccn2n1
InChIInChI=1S/C14H23N5/c1-11(2)12-10-13-14(15-6-5-8-18(3)4)16-7-9-19(13)17-12/h7,9-11H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyITJTYSJDYAWGID-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds6

About N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine (PubChem CID 104730523) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
PubChem CID104730523
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc2c(NCCCN(C)C)nccn2n1
InChIInChI=1S/C14H23N5/c1-11(2)12-10-13-14(15-6-5-8-18(3)4)16-7-9-19(13)17-12/h7,9-11H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyITJTYSJDYAWGID-UHFFFAOYSA-N
XLogP2.22
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731912
N-(2-ethoxyethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730730
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106418512

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine (CID 104730523) is N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine is CC(C)c1cc2c(NCCCN(C)C)nccn2n1.
What is the InChIKey of N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine?
The InChIKey is ITJTYSJDYAWGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)12-10-13-14(15-6-5-8-18(3)4)16-7-9-19(13)17-12/h7,9-11H,5-6,8H2,1-4H3,(H,15,16).
What are the key properties of N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 104730523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).