1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine

C8H9ClN4 — CID 84720808

IUPAC1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine
SMILESCNCc1cnn2cc(Cl)cnc12
InChIInChI=1S/C8H9ClN4/c1-10-2-6-3-12-13-5-7(9)4-11-8(6)13/h3-5,10H,2H2,1H3
InChIKeyZROSCOBLJMTBKL-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.10
Rot. Bonds2

About 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine

1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine (PubChem CID 84720808) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine
PubChem CID84720808
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine
SMILESCNCc1cnn2cc(Cl)cnc12
InChIInChI=1S/C8H9ClN4/c1-10-2-6-3-12-13-5-7(9)4-11-8(6)13/h3-5,10H,2H2,1H3
InChIKeyZROSCOBLJMTBKL-UHFFFAOYSA-N
XLogP1.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine
CID 84725629
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 133058331
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 84718696
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289
1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854301
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82502822
1-[3-(4-chloropyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074698
N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
CID 104621816
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096770
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine (CID 84720808) is 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine is CNCc1cnn2cc(Cl)cnc12.
What is the InChIKey of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine?
The InChIKey is ZROSCOBLJMTBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-10-2-6-3-12-13-5-7(9)4-11-8(6)13/h3-5,10H,2H2,1H3.
What are the key properties of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine?
1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine has a molecular weight of 196.64 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84720808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).