N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine

C12H15N3 — CID 18525877

IUPACN-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCNCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3
InChIKeyBQLXMVISWVMAID-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine

N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 18525877) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID18525877
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCNCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3
InChIKeyBQLXMVISWVMAID-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 18525877) is N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine is CNCc1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is BQLXMVISWVMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3.
What are the key properties of N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 18525877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).