1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine

C10H13ClN4 — CID 84725629

IUPAC1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnn2cc(Cl)cnc12
InChIInChI=1S/C10H13ClN4/c1-7(12-2)3-8-4-14-15-6-9(11)5-13-10(8)15/h4-7,12H,3H2,1-2H3
InChIKeyNLDZNBJXPDIAQN-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.53
Rot. Bonds3

About 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine

1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine (PubChem CID 84725629) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine
PubChem CID84725629
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnn2cc(Cl)cnc12
InChIInChI=1S/C10H13ClN4/c1-7(12-2)3-8-4-14-15-6-9(11)5-13-10(8)15/h4-7,12H,3H2,1-2H3
InChIKeyNLDZNBJXPDIAQN-UHFFFAOYSA-N
XLogP1.53
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine
CID 84720808
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 133058331
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 84718696
1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
CID 105481338
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82502822
1-(5-cyclopentyl-1-methylpyrazol-4-yl)-N-methylpropan-2-amine
CID 105478394
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine
CID 117195612
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
CID 105478354
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84728420
N-methyl-1-(1-methylindazol-7-yl)propan-2-amine
CID 84721641

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine (CID 84725629) is 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1cnn2cc(Cl)cnc12.
What is the InChIKey of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine?
The InChIKey is NLDZNBJXPDIAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-7(12-2)3-8-4-14-15-6-9(11)5-13-10(8)15/h4-7,12H,3H2,1-2H3.
What are the key properties of 1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine?
1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine has a molecular weight of 224.70 g/mol, XLogP of 1.53, 3 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-methylpropan-2-amine is sourced from PubChem (CID 84725629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).