N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine

C13H15Br2ClN4 — CID 114660612

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ncc(Br)cc1Br)c1c(Cl)cnn1CC
InChIInChI=1S/C13H15Br2ClN4/c1-3-17-12(11-9(15)5-8(14)6-18-11)13-10(16)7-19-20(13)4-2/h5-7,12,17H,3-4H2,1-2H3
InChIKeyMNMOMADFZDYWKF-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.18
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine

N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine (PubChem CID 114660612) has the molecular formula C13H15Br2ClN4 and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
PubChem CID114660612
Molecular FormulaC13H15Br2ClN4
Molecular Weight422.55 g/mol
Exact Mass419.94
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ncc(Br)cc1Br)c1c(Cl)cnn1CC
InChIInChI=1S/C13H15Br2ClN4/c1-3-17-12(11-9(15)5-8(14)6-18-11)13-10(16)7-19-20(13)4-2/h5-7,12,17H,3-4H2,1-2H3
InChIKeyMNMOMADFZDYWKF-UHFFFAOYSA-N
XLogP4.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660608
N-[(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114660511
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660611
N-[(4-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114906523
N-[(3,5-dibromo-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113398631
N-[(3-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 107953676
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]hydrazine
CID 105268450
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755859
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105183300
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105040716
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 105040874

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine (CID 114660612) is N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine is CCNC(c1ncc(Br)cc1Br)c1c(Cl)cnn1CC.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
The InChIKey is MNMOMADFZDYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2ClN4/c1-3-17-12(11-9(15)5-8(14)6-18-11)13-10(16)7-19-20(13)4-2/h5-7,12,17H,3-4H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine has a molecular weight of 422.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114660612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).