N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine

C14H19N3 — CID 114197756

IUPACN-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
SMILESCNCc1cccc(-c2ccnn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-11(2)17-14(7-8-16-17)13-6-4-5-12(9-13)10-15-3/h4-9,11,15H,10H2,1-3H3
InChIKeyZNRFQXUCWIXALS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.85
Rot. Bonds4

About N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine

N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine (PubChem CID 114197756) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
PubChem CID114197756
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
SMILESCNCc1cccc(-c2ccnn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-11(2)17-14(7-8-16-17)13-6-4-5-12(9-13)10-15-3/h4-9,11,15H,10H2,1-3H3
InChIKeyZNRFQXUCWIXALS-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine (CID 114197756) is N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine is CNCc1cccc(-c2ccnn2C(C)C)c1.
What is the InChIKey of N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is ZNRFQXUCWIXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)17-14(7-8-16-17)13-6-4-5-12(9-13)10-15-3/h4-9,11,15H,10H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 114197756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).