1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine

C16H21N3 — CID 112668473

IUPAC1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)cc1CNCc1cccc(C2CC2)c1
InChIInChI=1S/C16H21N3/c1-12-16(11-19(2)18-12)10-17-9-13-4-3-5-15(8-13)14-6-7-14/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3
InChIKeyZSNFJAHFJKLLHB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine

1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 112668473) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID112668473
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)cc1CNCc1cccc(C2CC2)c1
InChIInChI=1S/C16H21N3/c1-12-16(11-19(2)18-12)10-17-9-13-4-3-5-15(8-13)14-6-7-14/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3
InChIKeyZSNFJAHFJKLLHB-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-(3-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106037870
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112668482
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
CID 103851784
3-(3-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989351
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 79979226
[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 109479915
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine (CID 112668473) is 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)cc1CNCc1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ZSNFJAHFJKLLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-16(11-19(2)18-12)10-17-9-13-4-3-5-15(8-13)14-6-7-14/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine?
1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 112668473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).