(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine

C11H12BrCl2N3S — CID 107969104

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12BrCl2N3S/c1-2-3-17-10(7(12)5-16-17)9(15)6-4-8(13)18-11(6)14/h4-5,9H,2-3,15H2,1H3
InChIKeyRMFLTNXNNBBYJR-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.47
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 107969104) has the molecular formula C11H12BrCl2N3S and a molecular weight of 369.12 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID107969104
Molecular FormulaC11H12BrCl2N3S
Molecular Weight369.12 g/mol
Exact Mass366.93
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12BrCl2N3S/c1-2-3-17-10(7(12)5-16-17)9(15)6-4-8(13)18-11(6)14/h4-5,9H,2-3,15H2,1H3
InChIKeyRMFLTNXNNBBYJR-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 107969895
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969129
(4-bromo-1-propylpyrazol-5-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105041522
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 107969232
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 107969104) is (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine is CCCn1ncc(Br)c1C(N)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is RMFLTNXNNBBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2N3S/c1-2-3-17-10(7(12)5-16-17)9(15)6-4-8(13)18-11(6)14/h4-5,9H,2-3,15H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 369.12 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 107969104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).