N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C13H11ClN4 — CID 115373205

IUPACN-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClCc1ccccc1Nc1ccn2nccc2n1
InChIInChI=1S/C13H11ClN4/c14-9-10-3-1-2-4-11(10)16-12-6-8-18-13(17-12)5-7-15-18/h1-8H,9H2,(H,16,17)
InChIKeyXXDZAHJQGHHFIP-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115373205) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115373205
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClCc1ccccc1Nc1ccn2nccc2n1
InChIInChI=1S/C13H11ClN4/c14-9-10-3-1-2-4-11(10)16-12-6-8-18-13(17-12)5-7-15-18/h1-8H,9H2,(H,16,17)
InChIKeyXXDZAHJQGHHFIP-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296642
N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine
CID 65027662
N-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 102806029
N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106167749
N-[2-(chloromethyl)phenyl]quinoxalin-2-amine
CID 65027944
N-(quinolin-8-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372657
N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106142058
N-cyclopropylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372297
(2-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanol
CID 107713486
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
N-[2-(chloromethyl)phenyl]-1-methylimidazol-2-amine
CID 65027388

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 115373205) is N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is ClCc1ccccc1Nc1ccn2nccc2n1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is XXDZAHJQGHHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-9-10-3-1-2-4-11(10)16-12-6-8-18-13(17-12)5-7-15-18/h1-8H,9H2,(H,16,17).
What are the key properties of N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 258.71 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115373205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).