5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H19ClN4 — CID 134795202

IUPAC5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCC2CCCCCC2)n2nccc2n1
InChIInChI=1S/C14H19ClN4/c15-12-9-14(19-13(18-12)7-8-17-19)16-10-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6,10H2
InChIKeyOZIRUTQVDYYTCT-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 134795202) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID134795202
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCC2CCCCCC2)n2nccc2n1
InChIInChI=1S/C14H19ClN4/c15-12-9-14(19-13(18-12)7-8-17-19)16-10-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6,10H2
InChIKeyOZIRUTQVDYYTCT-UHFFFAOYSA-N
XLogP3.77
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 71453355
5-N-(4-aminocyclohexyl)-7-N-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 71462243
5-chloro-N-cycloheptylpyrazolo[1,5-a]pyrimidin-7-amine
CID 134794399
5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58314861
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 134795202) is 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCC2CCCCCC2)n2nccc2n1.
What is the InChIKey of 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OZIRUTQVDYYTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c15-12-9-14(19-13(18-12)7-8-17-19)16-10-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6,10H2.
What are the key properties of 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 278.79 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cycloheptylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 134795202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).