N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine

C16H28BrN3O — CID 114661392

IUPACN-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C(OCC)C1CC1
InChIInChI=1S/C16H28BrN3O/c1-4-9-18-14(16(21-6-3)12-7-8-12)15-13(17)11-19-20(15)10-5-2/h11-12,14,16,18H,4-10H2,1-3H3
InChIKeyQZLRMPZDRBYFDV-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.91
Rot. Bonds10

About N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine

N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine (PubChem CID 114661392) has the molecular formula C16H28BrN3O and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
PubChem CID114661392
Molecular FormulaC16H28BrN3O
Molecular Weight358.32 g/mol
Exact Mass357.14
IUPAC NameN-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C(OCC)C1CC1
InChIInChI=1S/C16H28BrN3O/c1-4-9-18-14(16(21-6-3)12-7-8-12)15-13(17)11-19-20(15)10-5-2/h11-12,14,16,18H,4-10H2,1-3H3
InChIKeyQZLRMPZDRBYFDV-UHFFFAOYSA-N
XLogP3.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-N-propylpropan-1-amine
CID 105043122
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
CID 114661012
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
N-[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethyl]propan-1-amine
CID 114657566
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethoxy-N-propylpropan-1-amine
CID 114652910
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine (CID 114661392) is N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine is CCCNC(c1c(Br)cnn1CCC)C(OCC)C1CC1.
What is the InChIKey of N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine?
The InChIKey is QZLRMPZDRBYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3O/c1-4-9-18-14(16(21-6-3)12-7-8-12)15-13(17)11-19-20(15)10-5-2/h11-12,14,16,18H,4-10H2,1-3H3.
What are the key properties of N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine?
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 114661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).