(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine

C14H19N3 — CID 79025656

IUPAC(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
SMILESCc1cc(CN[C@H](C)c2ccccc2)n(C)n1
InChIInChI=1S/C14H19N3/c1-11-9-14(17(3)16-11)10-15-12(2)13-7-5-4-6-8-13/h4-9,12,15H,10H2,1-3H3/t12-/m1/s1
InChIKeyMISMMRWXEJLHOR-GFCCVEGCSA-N
MW229.33 g/mol
LogP2.58
Rot. Bonds4

About (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine

(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine (PubChem CID 79025656) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
PubChem CID79025656
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
SMILESCc1cc(CN[C@H](C)c2ccccc2)n(C)n1
InChIInChI=1S/C14H19N3/c1-11-9-14(17(3)16-11)10-15-12(2)13-7-5-4-6-8-13/h4-9,12,15H,10H2,1-3H3/t12-/m1/s1
InChIKeyMISMMRWXEJLHOR-GFCCVEGCSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
(1S)-1-(3-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81376018
(1R)-1-(2-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81383825
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
(1R)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356977
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 68895617
(1S)-1-(4-bromophenyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 81358937
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine (CID 79025656) is (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine is Cc1cc(CN[C@H](C)c2ccccc2)n(C)n1.
What is the InChIKey of (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine?
The InChIKey is MISMMRWXEJLHOR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-9-14(17(3)16-11)10-15-12(2)13-7-5-4-6-8-13/h4-9,12,15H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine?
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 79025656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).