N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine

C12H17ClN4 — CID 106354243

IUPACN-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)C(CCCl)Nc1nccn2nccc12
InChIInChI=1S/C12H17ClN4/c1-9(2)10(3-5-13)16-12-11-4-6-15-17(11)8-7-14-12/h4,6-10H,3,5H2,1-2H3,(H,14,16)
InChIKeyFLRSTPZCTUIPBH-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.79
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine

N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106354243) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106354243
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)C(CCCl)Nc1nccn2nccc12
InChIInChI=1S/C12H17ClN4/c1-9(2)10(3-5-13)16-12-11-4-6-15-17(11)8-7-14-12/h4,6-10H,3,5H2,1-2H3,(H,14,16)
InChIKeyFLRSTPZCTUIPBH-UHFFFAOYSA-N
XLogP2.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
CID 104732049
N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731641
N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446272
4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
CID 113446473
N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731650
2-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,2-diamine
CID 104732618
N-(1-cyclopentylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446364
N-(1-imidazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731094
N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730907
N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
CID 106354276
methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate
CID 104733374
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104732428

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 106354243) is N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)C(CCCl)Nc1nccn2nccc12.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is FLRSTPZCTUIPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-9(2)10(3-5-13)16-12-11-4-6-15-17(11)8-7-14-12/h4,6-10H,3,5H2,1-2H3,(H,14,16).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 252.75 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106354243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).