1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine

C15H22BrN3O — CID 105183823

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H22BrN3O/c1-4-17-14(8-7-12-6-5-9-20-12)15-13(16)10-18-19(15)11(2)3/h5-6,9-11,14,17H,4,7-8H2,1-3H3
InChIKeyCMEKMUDNHIVWCM-UHFFFAOYSA-N
MW340.27 g/mol
LogP4.10
Rot. Bonds7

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine (PubChem CID 105183823) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
PubChem CID105183823
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H22BrN3O/c1-4-17-14(8-7-12-6-5-9-20-12)15-13(16)10-18-19(15)11(2)3/h5-6,9-11,14,17H,4,7-8H2,1-3H3
InChIKeyCMEKMUDNHIVWCM-UHFFFAOYSA-N
XLogP4.10
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
CID 105186821
[3-(furan-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propyl]hydrazine
CID 105339521
2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336492
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114436028
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660611
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine (CID 105183823) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine is CCNC(CCc1ccco1)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The InChIKey is CMEKMUDNHIVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-4-17-14(8-7-12-6-5-9-20-12)15-13(16)10-18-19(15)11(2)3/h5-6,9-11,14,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine has a molecular weight of 340.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105183823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).