N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

C6H11N3 — CID 3157457

IUPACN-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCNCc1cc(C)[nH]n1
InChIInChI=1S/C6H11N3/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3,(H,8,9)
InChIKeyHEWBDSWDDPJBLU-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.44
Rot. Bonds2

About N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (PubChem CID 3157457) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
PubChem CID3157457
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCNCc1cc(C)[nH]n1
InChIInChI=1S/C6H11N3/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3,(H,8,9)
InChIKeyHEWBDSWDDPJBLU-UHFFFAOYSA-N
XLogP0.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (CID 3157457) is N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is CNCc1cc(C)[nH]n1.
What is the InChIKey of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The InChIKey is HEWBDSWDDPJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3,(H,8,9).
What are the key properties of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 3157457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).