N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine

C11H13ClN4 — CID 104733985

IUPACN-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESClC(CNc1nccn2nccc12)C1CC1
InChIInChI=1S/C11H13ClN4/c12-9(8-1-2-8)7-14-11-10-3-4-15-16(10)6-5-13-11/h3-6,8-9H,1-2,7H2,(H,13,14)
InChIKeyVWEGIHLBVTUHJY-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.16
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104733985) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104733985
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC NameN-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESClC(CNc1nccn2nccc12)C1CC1
InChIInChI=1S/C11H13ClN4/c12-9(8-1-2-8)7-14-11-10-3-4-15-16(10)6-5-13-11/h3-6,8-9H,1-2,7H2,(H,13,14)
InChIKeyVWEGIHLBVTUHJY-UHFFFAOYSA-N
XLogP2.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.16
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-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 114168556
N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731641
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 113446377
2,2-dimethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104734329
N-(1-cyclopentylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446364
1-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclopentan-1-ol
CID 113446380
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732763
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104732428
N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine
CID 65033600
N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 103462545
2-methyl-1-N-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,2-diamine
CID 104732795

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104733985) is N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine is ClC(CNc1nccn2nccc12)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is VWEGIHLBVTUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-9(8-1-2-8)7-14-11-10-3-4-15-16(10)6-5-13-11/h3-6,8-9H,1-2,7H2,(H,13,14).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104733985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).