N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

C17H23N3 — CID 79889125

IUPACN-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2ccccc2C2CC2)cnn1C
InChIInChI=1S/C17H23N3/c1-12(17-11-19-20(3)13(17)2)18-10-15-6-4-5-7-16(15)14-8-9-14/h4-7,11-12,14,18H,8-10H2,1-3H3
InChIKeyLGYBPBJIBGPLNA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 79889125) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID79889125
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2ccccc2C2CC2)cnn1C
InChIInChI=1S/C17H23N3/c1-12(17-11-19-20(3)13(17)2)18-10-15-6-4-5-7-16(15)14-8-9-14/h4-7,11-12,14,18H,8-10H2,1-3H3
InChIKeyLGYBPBJIBGPLNA-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
1-(1,5-dimethylpyrazol-4-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43792472
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-iodophenyl)methyl]ethanamine
CID 114282803
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43751830
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (CID 79889125) is N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is Cc1c(C(C)NCc2ccccc2C2CC2)cnn1C.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is LGYBPBJIBGPLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(17-11-19-20(3)13(17)2)18-10-15-6-4-5-7-16(15)14-8-9-14/h4-7,11-12,14,18H,8-10H2,1-3H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 79889125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).