N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

C13H11ClN4 — CID 104730459

IUPACN-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESClc1ccccc1CNc1nccn2nccc12
InChIInChI=1S/C13H11ClN4/c14-11-4-2-1-3-10(11)9-16-13-12-5-6-17-18(12)8-7-15-13/h1-8H,9H2,(H,15,16)
InChIKeyDKELFVPBFBHSDM-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.99
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730459) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730459
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESClc1ccccc1CNc1nccn2nccc12
InChIInChI=1S/C13H11ClN4/c14-11-4-2-1-3-10(11)9-16-13-12-5-6-17-18(12)8-7-15-13/h1-8H,9H2,(H,15,16)
InChIKeyDKELFVPBFBHSDM-UHFFFAOYSA-N
XLogP2.99
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104730459) is N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is Clc1ccccc1CNc1nccn2nccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DKELFVPBFBHSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-4-2-1-3-10(11)9-16-13-12-5-6-17-18(12)8-7-15-13/h1-8H,9H2,(H,15,16).
What are the key properties of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).