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

C13H19ClN4 — CID 106142058

IUPACN-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)(CCCCl)CNc1ccn2nccc2n1
InChIInChI=1S/C13H19ClN4/c1-13(2,6-3-7-14)10-15-11-5-9-18-12(17-11)4-8-16-18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,17)
InChIKeyOLPPGNFEOCAACW-UHFFFAOYSA-N
MW266.78 g/mol
LogP3.19
Rot. Bonds6

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

N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 106142058) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID106142058
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)(CCCCl)CNc1ccn2nccc2n1
InChIInChI=1S/C13H19ClN4/c1-13(2,6-3-7-14)10-15-11-5-9-18-12(17-11)4-8-16-18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,17)
InChIKeyOLPPGNFEOCAACW-UHFFFAOYSA-N
XLogP3.19
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 53.19
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-octylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366057
5-Chloro-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366058
5-Chloro-6-methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366059
5-Chloro-N-decylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366064
5-chloro-N-cycloheptylpyrazolo[1,5-a]pyrimidin-7-amine
CID 134794399
5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134795202
5-chloro-N-cyclopentylpyrazolo[1,5-a]pyrimidin-7-amine
CID 134791736
5-chloro-N-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134792623
5-chloro-N-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134793148
5-chloro-N-(2-cyclohexylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134794171
5-chloro-N-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134794469
N-ethyl-3-fluoropyrazolo[1,5-a]pyrimidin-7-amine
CID 144425585

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 106142058) is N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(C)(CCCCl)CNc1ccn2nccc2n1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is OLPPGNFEOCAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-13(2,6-3-7-14)10-15-11-5-9-18-12(17-11)4-8-16-18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 266.78 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 106142058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).