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

C12H15ClN4 — CID 115373212

IUPACN-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClC1CCCCC1Nc1ccn2nccc2n1
InChIInChI=1S/C12H15ClN4/c13-9-3-1-2-4-10(9)15-11-6-8-17-12(16-11)5-7-14-17/h5-10H,1-4H2,(H,15,16)
InChIKeySMRPYEPVJUURFB-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.69
Rot. Bonds2

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

N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115373212) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115373212
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC NameN-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClC1CCCCC1Nc1ccn2nccc2n1
InChIInChI=1S/C12H15ClN4/c13-9-3-1-2-4-10(9)15-11-6-8-17-12(16-11)5-7-14-17/h5-10H,1-4H2,(H,15,16)
InChIKeySMRPYEPVJUURFB-UHFFFAOYSA-N
XLogP2.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 115373212) is N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine is ClC1CCCCC1Nc1ccn2nccc2n1.
What is the InChIKey of N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is SMRPYEPVJUURFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-9-3-1-2-4-10(9)15-11-6-8-17-12(16-11)5-7-14-17/h5-10H,1-4H2,(H,15,16).
What are the key properties of N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 250.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115373212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).