5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine

C12H15ClN4 — CID 58314861

IUPAC5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NC2CCCCC2)n2nccc2n1
InChIInChI=1S/C12H15ClN4/c13-10-8-12(15-9-4-2-1-3-5-9)17-11(16-10)6-7-14-17/h6-9,15H,1-5H2
InChIKeyHLZHGBFTOREHTA-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.13
Rot. Bonds2

About 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58314861) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58314861
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NC2CCCCC2)n2nccc2n1
InChIInChI=1S/C12H15ClN4/c13-10-8-12(15-9-4-2-1-3-5-9)17-11(16-10)6-7-14-17/h6-9,15H,1-5H2
InChIKeyHLZHGBFTOREHTA-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971313
5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971312
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
N-octylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366057
[4-[[3-Cyano-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 72199395
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4)-2-propenyl-, hydrochloride, hydrate (2:2:1)
CID 3054734
5-Chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
CID 23539610
5-Chloropyrazolo(1,5-a)pyrimidin-2-amine
CID 84653263
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine (CID 58314861) is 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NC2CCCCC2)n2nccc2n1.
What is the InChIKey of 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HLZHGBFTOREHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-10-8-12(15-9-4-2-1-3-5-9)17-11(16-10)6-7-14-17/h6-9,15H,1-5H2.
What are the key properties of 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 250.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58314861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).