N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine

C18H25N3O — CID 50965380

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine
SMILESCc1cccc(OCCN(C)Cc2cc(C3CC3)n[nH]2)c1C
InChIInChI=1S/C18H25N3O/c1-13-5-4-6-18(14(13)2)22-10-9-21(3)12-16-11-17(20-19-16)15-7-8-15/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyPBUOQLHCYKJVCI-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.41
Rot. Bonds7

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine (PubChem CID 50965380) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine
PubChem CID50965380
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine
SMILESCc1cccc(OCCN(C)Cc2cc(C3CC3)n[nH]2)c1C
InChIInChI=1S/C18H25N3O/c1-13-5-4-6-18(14(13)2)22-10-9-21(3)12-16-11-17(20-19-16)15-7-8-15/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyPBUOQLHCYKJVCI-UHFFFAOYSA-N
XLogP3.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
6-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-1H-pyrimidine-2,4-dione
CID 51073803
1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)methanamine
CID 28783972
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 154887169
(3aS,6aR)-5-[2-(2,3-dimethylphenoxy)ethyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 135114982
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
CID 130453676
3-(2,3-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119444434
4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
CID 50955234
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
CID 28910618
5-amino-2-[2-(2,3-dimethylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
CID 82171132
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine (CID 50965380) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine is Cc1cccc(OCCN(C)Cc2cc(C3CC3)n[nH]2)c1C.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine?
The InChIKey is PBUOQLHCYKJVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-5-4-6-18(14(13)2)22-10-9-21(3)12-16-11-17(20-19-16)15-7-8-15/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2,3-dimethylphenoxy)-N-methylethanamine is sourced from PubChem (CID 50965380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).