N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine

C14H24BrN3O — CID 114658581

IUPACN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCOC)C1(C)CC1
InChIInChI=1S/C14H24BrN3O/c1-4-7-16-13(14(2)5-6-14)12-11(15)10-17-18(12)8-9-19-3/h10,13,16H,4-9H2,1-3H3
InChIKeyQSVCUVACJWJPSX-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.13
Rot. Bonds8

About N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine

N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 114658581) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine
PubChem CID114658581
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC NameN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCOC)C1(C)CC1
InChIInChI=1S/C14H24BrN3O/c1-4-7-16-13(14(2)5-6-14)12-11(15)10-17-18(12)8-9-19-3/h10,13,16H,4-9H2,1-3H3
InChIKeyQSVCUVACJWJPSX-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105054630
N-[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethyl]propan-1-amine
CID 114657566
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 105184228
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-N-propylpropan-1-amine
CID 105043122
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105184226
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242499
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105042952
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830594
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propylpentan-1-amine
CID 105043059
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylbutan-1-amine
CID 105042924

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine (CID 114658581) is N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1c(Br)cnn1CCOC)C1(C)CC1.
What is the InChIKey of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is QSVCUVACJWJPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-4-7-16-13(14(2)5-6-14)12-11(15)10-17-18(12)8-9-19-3/h10,13,16H,4-9H2,1-3H3.
What are the key properties of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine?
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 114658581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).