N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine

C14H18N6 — CID 43534776

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCc1cc2ncc(C(C)Nc3cnn(C)c3)c(C)n2n1
InChIInChI=1S/C14H18N6/c1-9-5-14-15-7-13(11(3)20(14)18-9)10(2)17-12-6-16-19(4)8-12/h5-8,10,17H,1-4H3
InChIKeyKRTLKKJLKWMOII-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.25
Rot. Bonds3

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 43534776) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine
PubChem CID43534776
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCc1cc2ncc(C(C)Nc3cnn(C)c3)c(C)n2n1
InChIInChI=1S/C14H18N6/c1-9-5-14-15-7-13(11(3)20(14)18-9)10(2)17-12-6-16-19(4)8-12/h5-8,10,17H,1-4H3
InChIKeyKRTLKKJLKWMOII-UHFFFAOYSA-N
XLogP2.25
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine (CID 43534776) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine is Cc1cc2ncc(C(C)Nc3cnn(C)c3)c(C)n2n1.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is KRTLKKJLKWMOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-9-5-14-15-7-13(11(3)20(14)18-9)10(2)17-12-6-16-19(4)8-12/h5-8,10,17H,1-4H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 270.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).