N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine

C13H16N6 — CID 62405842

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCc1cc2ncc(CNCCn3cccn3)cn2n1
InChIInChI=1S/C13H16N6/c1-11-7-13-15-9-12(10-19(13)17-11)8-14-4-6-18-5-2-3-16-18/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChIKeyJMPRTRVCDAPWRU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.02
Rot. Bonds5

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 62405842) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID62405842
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCc1cc2ncc(CNCCn3cccn3)cn2n1
InChIInChI=1S/C13H16N6/c1-11-7-13-15-9-12(10-19(13)17-11)8-14-4-6-18-5-2-3-16-18/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChIKeyJMPRTRVCDAPWRU-UHFFFAOYSA-N
XLogP1.02
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine (CID 62405842) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine is Cc1cc2ncc(CNCCn3cccn3)cn2n1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is JMPRTRVCDAPWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-11-7-13-15-9-12(10-19(13)17-11)8-14-4-6-18-5-2-3-16-18/h2-3,5,7,9-10,14H,4,6,8H2,1H3.
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 256.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 62405842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).