2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine

C14H21ClN4 — CID 104733993

IUPAC2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(CCl)CNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H21ClN4/c1-10(8-15)9-17-13-11-7-12(14(2,3)4)18-19(11)6-5-16-13/h5-7,10H,8-9H2,1-4H3,(H,16,17)
InChIKeyINDDQMXUOWMSMQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.31
Rot. Bonds4

About 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104733993) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104733993
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(CCl)CNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H21ClN4/c1-10(8-15)9-17-13-11-7-12(14(2,3)4)18-19(11)6-5-16-13/h5-7,10H,8-9H2,1-4H3,(H,16,17)
InChIKeyINDDQMXUOWMSMQ-UHFFFAOYSA-N
XLogP3.31
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.31
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

N-[(2R)-3,3-dimethylbutan-2-yl]-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033445
N-(3,3-dimethylbutyl)-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033447
N-[(2S)-3,3-dimethylbutan-2-yl]-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033444
N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118711762
2-Methylpyrazolo[1,5-a]pyrazin-4-amine
CID 121598933
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742361
1,3-dimethyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742368
1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742369
1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893053
1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893884
1-[(2-fluorophenyl)methyl]-N-propan-2-yltriazolo[4,5-c]pyridin-4-amine;hydrochloride
CID 45261984
1-benzyl-N-methyltriazolo[4,5-c]pyridin-4-amine;hydrochloride
CID 45262022

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104733993) is 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(CCl)CNc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is INDDQMXUOWMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-10(8-15)9-17-13-11-7-12(14(2,3)4)18-19(11)6-5-16-13/h5-7,10H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 280.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104733993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).